mPGES1-IN-7

CAT: 0607-BA6162-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6162-1Size:1 mg

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

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CAS Number

1268709-57-4

Form

A solid

Molecular Formula

C23H34N4O

Molecular Weight

382.54

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-Cyclopentyl-1-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-2-yl)piperidine-4-carboxamide

CAS Number	1268709-57-4
PubChem CID	67033699
IUPAC Name	N-cyclopentyl-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
Molecular Formula	C23H34N4O
Molecular Weight	382.5
XLogP	4.4
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	539

SMILES

CC1=CC2=C(C=C1C)N(C(=N2)N3CCC(CC3)C(=O)NC4CCCC4)C(C)C

InChI

InChI=1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28)

InChIKey

FPPVJOTXZIRXTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1268709-57-4

CID: 67033699

Formula: C23H34N4O

MW: 382.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	382.5
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	382.27326172
Monoisotopic Mass	382.27326172
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	539
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