3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid

C16H20N2O2 — CID 115933499

IUPAC3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid
SMILESCCC1CCC(n2cnc3cccc(C(=O)O)c32)C1C
InChIInChI=1S/C16H20N2O2/c1-3-11-7-8-14(10(11)2)18-9-17-13-6-4-5-12(15(13)18)16(19)20/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,19,20)
InChIKeyBLZVLCONAJZSGC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.73
Rot. Bonds3

About 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid

3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid (PubChem CID 115933499) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid
PubChem CID115933499
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid
SMILESCCC1CCC(n2cnc3cccc(C(=O)O)c32)C1C
InChIInChI=1S/C16H20N2O2/c1-3-11-7-8-14(10(11)2)18-9-17-13-6-4-5-12(15(13)18)16(19)20/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,19,20)
InChIKeyBLZVLCONAJZSGC-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933547
3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid
CID 107849976
3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933176
1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine
CID 64916460
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-(1-cyclopropylethyl)benzimidazole-4-carboxylic acid
CID 112577152
3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
CID 67433023
3-(thiolan-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 107297656
3-[(1-ethylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101518
1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543686
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid (CID 115933499) is 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid is CCC1CCC(n2cnc3cccc(C(=O)O)c32)C1C.
What is the InChIKey of 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid?
The InChIKey is BLZVLCONAJZSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-11-7-8-14(10(11)2)18-9-17-13-6-4-5-12(15(13)18)16(19)20/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid?
3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).