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

C24H26Cl2FN3O — CID 18732641

IUPAC2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H26Cl2FN3O/c1-15(2)13-29(24(31)23-18(26)8-5-9-19(23)27)14-22-28-20-11-10-16(25)12-21(20)30(22)17-6-3-4-7-17/h5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3
InChIKeyBQKRNXRRMKSPTM-UHFFFAOYSA-N
MW462.40 g/mol
LogP6.90
Rot. Bonds6

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

2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 18732641) has the molecular formula C24H26Cl2FN3O and a molecular weight of 462.40 g/mol. Its IUPAC name is 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide
PubChem CID18732641
Molecular FormulaC24H26Cl2FN3O
Molecular Weight462.40 g/mol
Exact Mass461.14
IUPAC Name2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H26Cl2FN3O/c1-15(2)13-29(24(31)23-18(26)8-5-9-19(23)27)14-22-28-20-11-10-16(25)12-21(20)30(22)17-6-3-4-7-17/h5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3
InChIKeyBQKRNXRRMKSPTM-UHFFFAOYSA-N
XLogP6.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

2-[2-(5,6-Dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 11847172
4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 164615918
(4-Chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 827837
N-{2-[2-(acetylamino)ethyl]-1-methyl-1H-benzimidazol-5-yl}-2-chlorobenzamide
CID 4886625
4-chloro-N-{1-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 765689
N-{2-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}-3-methylbenzamide
CID 1293046
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-chlorobenzamide
CID 1599825
N-{3-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]propyl}cyclohexanecarboxamide
CID 16012660
N-(3-{1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl}propyl)acetamide
CID 4753645
2-[2-[5,6-Dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 11846519
1-[(2-chlorophenyl)methyl]-2-methyl-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44133328
(S)-2-(6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzo[d]imidazol-1-yl)-N,2-dicyclohexylacetamide
CID 50938548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide (CID 18732641) is 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is BQKRNXRRMKSPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN3O/c1-15(2)13-29(24(31)23-18(26)8-5-9-19(23)27)14-22-28-20-11-10-16(25)12-21(20)30(22)17-6-3-4-7-17/h5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3.
What are the key properties of 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide?
2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 462.40 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-6-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18732641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).