2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid

C16H20N2O2 — CID 115971173

IUPAC2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1C1CCCC1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-2-6-15-17-12-8-3-4-9-14(12)18(15)13-10-5-7-11(13)16(19)20/h3-4,8-9,11,13H,2,5-7,10H2,1H3,(H,19,20)
InChIKeyQITCMENWYRXDRP-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.41
Rot. Bonds4

About 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid

2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 115971173) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID115971173
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1C1CCCC1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-2-6-15-17-12-8-3-4-9-14(12)18(15)13-10-5-7-11(13)16(19)20/h3-4,8-9,11,13H,2,5-7,10H2,1H3,(H,19,20)
InChIKeyQITCMENWYRXDRP-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
N-ethyl-2-(2-propylbenzimidazol-1-yl)cyclopentan-1-amine
CID 115970696
2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid
CID 15284923
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970701
1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
CID 116626986
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 104751637
3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide
CID 116626981
2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
CID 63105437

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid (CID 115971173) is 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid is CCCc1nc2ccccc2n1C1CCCC1C(=O)O.
What is the InChIKey of 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is QITCMENWYRXDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-6-15-17-12-8-3-4-9-14(12)18(15)13-10-5-7-11(13)16(19)20/h3-4,8-9,11,13H,2,5-7,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115971173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).