3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid

C16H20N2O2 — CID 80502987

IUPAC3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)c1nc2ccc(C(=O)O)cc2n1C1CCCC1
InChIInChI=1S/C16H20N2O2/c1-10(2)15-17-13-8-7-11(16(19)20)9-14(13)18(15)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,20)
InChIKeyYLDOGGWCEXWGCA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.97
Rot. Bonds3

About 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid

3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 80502987) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID80502987
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)c1nc2ccc(C(=O)O)cc2n1C1CCCC1
InChIInChI=1S/C16H20N2O2/c1-10(2)15-17-13-8-7-11(16(19)20)9-14(13)18(15)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,20)
InChIKeyYLDOGGWCEXWGCA-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-4-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82770602
3-(oxan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82774135
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209
1-(oxolan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 80713100
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
3-(1,3-dihydroxypropan-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790563
3-pentan-3-yl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790987
3-(1-methoxy-1-oxopropan-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82773480
3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 106330527
2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82769955
2-ethyl-3-(3-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82770160

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid (CID 80502987) is 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid is CC(C)c1nc2ccc(C(=O)O)cc2n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is YLDOGGWCEXWGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)15-17-13-8-7-11(16(19)20)9-14(13)18(15)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid?
3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 80502987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).