2-cyclopentyl-1-(3-phenylpropyl)benzimidazole

C21H24N2 — CID 134083928

IUPAC2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
SMILESc1ccc(CCCn2c(C3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H24N2/c1-2-9-17(10-3-1)11-8-16-23-20-15-7-6-14-19(20)22-21(23)18-12-4-5-13-18/h1-3,6-7,9-10,14-15,18H,4-5,8,11-13,16H2
InChIKeyIAZCZKBRDKIOKR-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.33
Rot. Bonds5

About 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole

2-cyclopentyl-1-(3-phenylpropyl)benzimidazole (PubChem CID 134083928) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
PubChem CID134083928
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
SMILESc1ccc(CCCn2c(C3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H24N2/c1-2-9-17(10-3-1)11-8-16-23-20-15-7-6-14-19(20)22-21(23)18-12-4-5-13-18/h1-3,6-7,9-10,14-15,18H,4-5,8,11-13,16H2
InChIKeyIAZCZKBRDKIOKR-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084004
3-[3-(2-cyclohexylbenzimidazol-1-yl)propanoyl-(2-phenylethyl)amino]propanoic acid
CID 110077162
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
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
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole?
The IUPAC name of 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole (CID 134083928) is 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole.
What is the SMILES notation for 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole?
The canonical SMILES for 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole is c1ccc(CCCn2c(C3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole?
The InChIKey is IAZCZKBRDKIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-2-9-17(10-3-1)11-8-16-23-20-15-7-6-14-19(20)22-21(23)18-12-4-5-13-18/h1-3,6-7,9-10,14-15,18H,4-5,8,11-13,16H2.
What are the key properties of 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole?
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole has a molecular weight of 304.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-phenylpropyl)benzimidazole is sourced from PubChem (CID 134083928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).