6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole

C27H28N2O — CID 3007943

IUPAC6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(CCc2ccc(-c3nc4ccc(C5CCCC5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C27H28N2O/c1-30-24-15-10-20(11-16-24)7-6-19-8-12-22(13-9-19)27-28-25-17-14-23(18-26(25)29-27)21-4-2-3-5-21/h8-18,21H,2-7H2,1H3,(H,28,29)
InChIKeyHSLVIEMDUUREFW-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.68
Rot. Bonds6

About 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole

6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole (PubChem CID 3007943) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
PubChem CID3007943
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(CCc2ccc(-c3nc4ccc(C5CCCC5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C27H28N2O/c1-30-24-15-10-20(11-16-24)7-6-19-8-12-22(13-9-19)27-28-25-17-14-23(18-26(25)29-27)21-4-2-3-5-21/h8-18,21H,2-7H2,1H3,(H,28,29)
InChIKeyHSLVIEMDUUREFW-UHFFFAOYSA-N
XLogP6.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
CID 70006976
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine;dihydrochloride
CID 70006975
6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
CID 135876004
N-[(4-aminophenyl)methyl]-2-(4-methoxyphenyl)-3H-benzimidazol-5-amine
CID 139827139
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 70061890
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
5-(cyclohexylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 59300896
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole?
The IUPAC name of 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole (CID 3007943) is 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole is COc1ccc(CCc2ccc(-c3nc4ccc(C5CCCC5)cc4[nH]3)cc2)cc1.
What is the InChIKey of 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole?
The InChIKey is HSLVIEMDUUREFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-30-24-15-10-20(11-16-24)7-6-19-8-12-22(13-9-19)27-28-25-17-14-23(18-26(25)29-27)21-4-2-3-5-21/h8-18,21H,2-7H2,1H3,(H,28,29).
What are the key properties of 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole?
6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole has a molecular weight of 396.53 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 3007943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).