1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole

C22H25ClN2S — CID 134084077

IUPAC1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C3CCCC3)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C22H25ClN2S/c1-2-12-26-19-10-11-20-21(14-19)25(15-16-6-5-9-18(23)13-16)22(24-20)17-7-3-4-8-17/h5-6,9-11,13-14,17H,2-4,7-8,12,15H2,1H3
InChIKeyJVIMHYNOKYAVMR-UHFFFAOYSA-N
MW384.98 g/mol
LogP6.90
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole

1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole (PubChem CID 134084077) has the molecular formula C22H25ClN2S and a molecular weight of 384.98 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
PubChem CID134084077
Molecular FormulaC22H25ClN2S
Molecular Weight384.98 g/mol
Exact Mass384.14
IUPAC Name1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C3CCCC3)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C22H25ClN2S/c1-2-12-26-19-10-11-20-21(14-19)25(15-16-6-5-9-18(23)13-16)22(24-20)17-7-3-4-8-17/h5-6,9-11,13-14,17H,2-4,7-8,12,15H2,1H3
InChIKeyJVIMHYNOKYAVMR-UHFFFAOYSA-N
XLogP6.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.98
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084004
1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine
CID 134084440
N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 134084441
6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole
CID 10714425
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
CID 134083751
6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
CID 46310221
(4R)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179994
N-[1-[1-[(3-chlorophenyl)methyl]-5-propylsulfanylbenzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 134083577
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol
CID 46308315
(4S)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 40698833

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole (CID 134084077) is 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole is CCCSc1ccc2nc(C3CCCC3)n(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole?
The InChIKey is JVIMHYNOKYAVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2S/c1-2-12-26-19-10-11-20-21(14-19)25(15-16-6-5-9-18(23)13-16)22(24-20)17-7-3-4-8-17/h5-6,9-11,13-14,17H,2-4,7-8,12,15H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole?
1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole has a molecular weight of 384.98 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 1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole is sourced from PubChem (CID 134084077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).