N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide

C25H30ClN3O — CID 18733761

IUPACN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2C2CCCC2)CC(C)C)c1
InChIInChI=1S/C25H30ClN3O/c1-17(2)15-28(25(30)19-8-6-7-18(3)13-19)16-24-27-22-12-11-20(26)14-23(22)29(24)21-9-4-5-10-21/h6-8,11-14,17,21H,4-5,9-10,15-16H2,1-3H3
InChIKeyZNZNLVPSUVYNJT-UHFFFAOYSA-N
MW423.99 g/mol
LogP6.41
Rot. Bonds6

About N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 18733761) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID18733761
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2C2CCCC2)CC(C)C)c1
InChIInChI=1S/C25H30ClN3O/c1-17(2)15-28(25(30)19-8-6-7-18(3)13-19)16-24-27-22-12-11-20(26)14-23(22)29(24)21-9-4-5-10-21/h6-8,11-14,17,21H,4-5,9-10,15-16H2,1-3H3
InChIKeyZNZNLVPSUVYNJT-UHFFFAOYSA-N
XLogP6.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
CID 18733730
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732496
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
CID 18733828
N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
CID 18733445
4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18733119
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733197
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 18733836
3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodobenzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(2-methylpropyl)benzamide
CID 159135995

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide (CID 18733761) is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2C2CCCC2)CC(C)C)c1.
What is the InChIKey of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is ZNZNLVPSUVYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-17(2)15-28(25(30)19-8-6-7-18(3)13-19)16-24-27-22-12-11-20(26)14-23(22)29(24)21-9-4-5-10-21/h6-8,11-14,17,21H,4-5,9-10,15-16H2,1-3H3.
What are the key properties of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide?
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 423.99 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).