Imidazole Related Compound 2

CAT: 1596-AR-I03376-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03376-01Size:10 Units

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CAS Number

2249404-39-3

Molecular Formula

C18H23N3OS

Molecular Weight

329.46

API Name

Imidazole

Chemical Information

2-(Methylthio)-1-(2-(4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one

CAS Number	2249404-39-3
PubChem CID	138043469
IUPAC Name	1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
Molecular Formula	C19H25N3OS
Molecular Weight	343.5
XLogP	3.4
Topological Polar Surface Area	74.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	425

SMILES

CC1=CC=C(C=C1)C2=CN=C(N2)C3CCCCN3C(=O)C(C)SC

InChI

InChI=1S/C19H25N3OS/c1-13-7-9-15(10-8-13)16-12-20-18(21-16)17-6-4-5-11-22(17)19(23)14(2)24-3/h7-10,12,14,17H,4-6,11H2,1-3H3,(H,20,21)

InChIKey

ZIQSNLRVUZTLJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2249404-39-3

CID: 138043469

Formula: C19H25N3OS

MW: 343.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.5
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	343.17183360
Monoisotopic Mass	343.17183360
Topological Polar Surface Area	74.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	425
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-I03394-01	Imidazole Related Compound 9
AR-I03380-01	Imidazole Related Compound 6
AR-I03378-01	Imidazole Related Compound 4
AR-I03377-01	Imidazole Related Compound 3
AR-I03375-01	Imidazole Related Compound 1
AR-I03386-01	Imidazole Related Compound 8
AR-I03381-01	Imidazole Related Compound 7
AR-I03379-01	Imidazole Related Compound 5
AR-L06791-01	Lercanidipine Related Compound 2
AR-L06451-01	Lafutidine Related Compound 2

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