ML148

CAT: 0926-BTA49696-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-BTA49696-04Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

451496-96-1

MDL Number

MFCD04422127

Smiles

CC1=CC (=CC=C1) N2C=NC3=C2C=CC (=C3) C (=O) N4CCCCC4

Molecular Formula

C20H21N3O

Molecular Weight

319.4 g/mol

Controlled

Chemical Information

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone

[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone is a member of benzimidazoles.

CAS Number	451496-96-1
PubChem CID	3243760
IUPAC Name	[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
Molecular Formula	C20H21N3O
Molecular Weight	319.4
XLogP	3.8
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	448

SMILES

CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3

InChIKey

YQNOQZALLOQMPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 451496-96-1

CID: 3243760

Formula: C20H21N3O

MW: 319.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.4
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	319.168462302
Monoisotopic Mass	319.168462302
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	448
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-123548-01	ML148