5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide

C27H34ClN3O2 — CID 18733197

IUPAC5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CCC(C)C)Cc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C27H34ClN3O2/c1-19(2)15-16-30(27(32)22-17-20(28)13-14-25(22)33-3)18-26-29-23-11-7-8-12-24(23)31(26)21-9-5-4-6-10-21/h7-8,11-14,17,19,21H,4-6,9-10,15-16,18H2,1-3H3
InChIKeyOZSUJFRAOSMPQQ-UHFFFAOYSA-N
MW468.04 g/mol
LogP6.89
Rot. Bonds8

About 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide

5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 18733197) has the molecular formula C27H34ClN3O2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
PubChem CID18733197
Molecular FormulaC27H34ClN3O2
Molecular Weight468.04 g/mol
Exact Mass467.23
IUPAC Name5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CCC(C)C)Cc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C27H34ClN3O2/c1-19(2)15-16-30(27(32)22-17-20(28)13-14-25(22)33-3)18-26-29-23-11-7-8-12-24(23)31(26)21-9-5-4-6-10-21/h7-8,11-14,17,19,21H,4-6,9-10,15-16,18H2,1-3H3
InChIKeyOZSUJFRAOSMPQQ-UHFFFAOYSA-N
XLogP6.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733226
4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733151
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
CID 18733730
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732496
N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734496
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498
2-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-chloro-2-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2-methyl-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 160955785
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-pentylbenzamide
CID 18734070
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide
CID 18734064

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide (CID 18733197) is 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide is COc1ccc(Cl)cc1C(=O)N(CCC(C)C)Cc1nc2ccccc2n1C1CCCCC1.
What is the InChIKey of 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is OZSUJFRAOSMPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O2/c1-19(2)15-16-30(27(32)22-17-20(28)13-14-25(22)33-3)18-26-29-23-11-7-8-12-24(23)31(26)21-9-5-4-6-10-21/h7-8,11-14,17,19,21H,4-6,9-10,15-16,18H2,1-3H3.
What are the key properties of 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide?
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 468.04 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18733197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).