N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide

C33H30ClN3O — CID 69082634

IUPACN-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide
SMILESO=C(C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C33H30ClN3O/c34-27-21-19-26(20-22-27)32-35-29-17-9-10-18-30(29)37(32)31(25-13-7-8-14-25)33(38)36(28-15-5-2-6-16-28)23-24-11-3-1-4-12-24/h1-6,9-12,15-22,25,31H,7-8,13-14,23H2
InChIKeyKTBGPOJTQLMXPT-UHFFFAOYSA-N
MW520.08 g/mol
LogP8.32
Rot. Bonds7

About N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide

N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide (PubChem CID 69082634) has the molecular formula C33H30ClN3O and a molecular weight of 520.08 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide
PubChem CID69082634
Molecular FormulaC33H30ClN3O
Molecular Weight520.08 g/mol
Exact Mass519.21
IUPAC NameN-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide
SMILESO=C(C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C33H30ClN3O/c34-27-21-19-26(20-22-27)32-35-29-17-9-10-18-30(29)37(32)31(25-13-7-8-14-25)33(38)36(28-15-5-2-6-16-28)23-24-11-3-1-4-12-24/h1-6,9-12,15-22,25,31H,7-8,13-14,23H2
InChIKeyKTBGPOJTQLMXPT-UHFFFAOYSA-N
XLogP8.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.08
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68694608
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide
CID 66619313
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760440
N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17001117
2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide
CID 141238102
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide
CID 66619256
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
4-[1-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]benzimidazol-2-yl]benzoic acid
CID 141193431
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
CID 68693949

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide (CID 69082634) is N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide is O=C(C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide?
The InChIKey is KTBGPOJTQLMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN3O/c34-27-21-19-26(20-22-27)32-35-29-17-9-10-18-30(29)37(32)31(25-13-7-8-14-25)33(38)36(28-15-5-2-6-16-28)23-24-11-3-1-4-12-24/h1-6,9-12,15-22,25,31H,7-8,13-14,23H2.
What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide?
N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide has a molecular weight of 520.08 g/mol, XLogP of 8.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide is sourced from PubChem (CID 69082634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).