2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid

C16H20N2O2 — CID 82502054

IUPAC2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
SMILESCCn1cnc2cc(C(C(=O)O)C3CCCC3)ccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-10-17-13-9-12(7-8-14(13)18)15(16(19)20)11-5-3-4-6-11/h7-11,15H,2-6H2,1H3,(H,19,20)
InChIKeyNIKDAGSCXWUVAA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.41
Rot. Bonds4

About 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid

2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid (PubChem CID 82502054) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
PubChem CID82502054
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
SMILESCCn1cnc2cc(C(C(=O)O)C3CCCC3)ccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-10-17-13-9-12(7-8-14(13)18)15(16(19)20)11-5-3-4-6-11/h7-11,15H,2-6H2,1H3,(H,19,20)
InChIKeyNIKDAGSCXWUVAA-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

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-Amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
CID 657047
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
[4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
CID 20887718
1-Cyclohexyl-2-methyl-1H-benzoimidazole-5-carboxylic acid
CID 744874
1-Cyclopentyl-1,3-benzodiazole-5-carboxylic acid
CID 4162626
2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetic acid
CID 10271773
1H-Benzimidazole-5-acetic acid, monohydrochloride
CID 3046610
1,2-dimethyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 845260

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid (CID 82502054) is 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid is CCn1cnc2cc(C(C(=O)O)C3CCCC3)ccc21.
What is the InChIKey of 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid?
The InChIKey is NIKDAGSCXWUVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-10-17-13-9-12(7-8-14(13)18)15(16(19)20)11-5-3-4-6-11/h7-11,15H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid?
2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic 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-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82502054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).