2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole

C24H30N2S — CID 134084004

IUPAC2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C3CCCC3)n(CCCc3ccccc3)c2c1
InChIInChI=1S/C24H30N2S/c1-2-17-27-21-14-15-22-23(18-21)26(24(25-22)20-12-6-7-13-20)16-8-11-19-9-4-3-5-10-19/h3-5,9-10,14-15,18,20H,2,6-8,11-13,16-17H2,1H3
InChIKeyNGJDVXUGFSORJV-UHFFFAOYSA-N
MW378.59 g/mol
LogP6.83
Rot. Bonds8

About 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole

2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole (PubChem CID 134084004) has the molecular formula C24H30N2S and a molecular weight of 378.59 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
PubChem CID134084004
Molecular FormulaC24H30N2S
Molecular Weight378.59 g/mol
Exact Mass378.21
IUPAC Name2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C3CCCC3)n(CCCc3ccccc3)c2c1
InChIInChI=1S/C24H30N2S/c1-2-17-27-21-14-15-22-23(18-21)26(24(25-22)20-12-6-7-13-20)16-8-11-19-9-4-3-5-10-19/h3-5,9-10,14-15,18,20H,2,6-8,11-13,16-17H2,1H3
InChIKeyNGJDVXUGFSORJV-UHFFFAOYSA-N
XLogP6.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethyl)-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084001
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
CID 134084077
2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
1-hexyl-2-(2-methylphenyl)-6-propylsulfanylbenzimidazole
CID 134084052
1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003158
1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754134
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
(4R)-1-(3-methylsulfanylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812744

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole?
The IUPAC name of 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole (CID 134084004) is 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole.
What is the SMILES notation for 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole?
The canonical SMILES for 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole is CCCSc1ccc2nc(C3CCCC3)n(CCCc3ccccc3)c2c1.
What is the InChIKey of 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole?
The InChIKey is NGJDVXUGFSORJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2S/c1-2-17-27-21-14-15-22-23(18-21)26(24(25-22)20-12-6-7-13-20)16-8-11-19-9-4-3-5-10-19/h3-5,9-10,14-15,18,20H,2,6-8,11-13,16-17H2,1H3.
What are the key properties of 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole?
2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole has a molecular weight of 378.59 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole is sourced from PubChem (CID 134084004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).