2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid

C23H26N2O2 — CID 15284923

IUPAC2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1Cc1ccc(C2CCCC2C(=O)O)cc1
InChIInChI=1S/C23H26N2O2/c1-2-6-22-24-20-9-3-4-10-21(20)25(22)15-16-11-13-17(14-12-16)18-7-5-8-19(18)23(26)27/h3-4,9-14,18-19H,2,5-8,15H2,1H3,(H,26,27)
InChIKeyCIUPPJMRMXLILY-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.01
Rot. Bonds6

About 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid

2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid (PubChem CID 15284923) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid
PubChem CID15284923
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1Cc1ccc(C2CCCC2C(=O)O)cc1
InChIInChI=1S/C23H26N2O2/c1-2-6-22-24-20-9-3-4-10-21(20)25(22)15-16-11-13-17(14-12-16)18-7-5-8-19(18)23(26)27/h3-4,9-14,18-19H,2,5-8,15H2,1H3,(H,26,27)
InChIKeyCIUPPJMRMXLILY-UHFFFAOYSA-N
XLogP5.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-propylbenzimidazole
CID 764560
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
2-butyl-3-[[4-(2-carboxycyclohexyl)phenyl]methyl]-5-chloroimidazole-4-carboxylic acid
CID 67741948
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
(3R,4S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166253499
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 104751637
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
(1R)-N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 142030641
(1R)-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 142030627
3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 115578490

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid (CID 15284923) is 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid is CCCc1nc2ccccc2n1Cc1ccc(C2CCCC2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is CIUPPJMRMXLILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-6-22-24-20-9-3-4-10-21(20)25(22)15-16-11-13-17(14-12-16)18-7-5-8-19(18)23(26)27/h3-4,9-14,18-19H,2,5-8,15H2,1H3,(H,26,27).
What are the key properties of 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid?
2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 15284923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).