2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid

C16H20N2O3 — CID 115933617

IUPAC2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
SMILESCC(CCCO)n1c(C2CC2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H20N2O3/c1-10(4-3-9-19)18-14-12(16(20)21)5-2-6-13(14)17-15(18)11-7-8-11/h2,5-6,10-11,19H,3-4,7-9H2,1H3,(H,20,21)
InChIKeyJEIGYYRPZKVMKN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.95
Rot. Bonds6

About 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid

2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid (PubChem CID 115933617) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
PubChem CID115933617
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
SMILESCC(CCCO)n1c(C2CC2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H20N2O3/c1-10(4-3-9-19)18-14-12(16(20)21)5-2-6-13(14)17-15(18)11-7-8-11/h2,5-6,10-11,19H,3-4,7-9H2,1H3,(H,20,21)
InChIKeyJEIGYYRPZKVMKN-UHFFFAOYSA-N
XLogP2.95
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
CID 115933618
2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933092
2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115933226
2-cyclopropyl-3-(thiolan-2-ylmethyl)benzimidazole-4-carboxylic acid
CID 115933628
3-(4-hydroxybutyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 106842848
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543789
3-(1-cyclopropylethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115932914
3-(1-ethoxypropan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933177
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289
2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
CID 64604500
2-ethyl-3-(5-hydroxy-4-methylpentyl)benzimidazole-4-carboxylic acid
CID 106162414
3-(3,3-dimethylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 104829416

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid (CID 115933617) is 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid is CC(CCCO)n1c(C2CC2)nc2cccc(C(=O)O)c21.
What is the InChIKey of 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
The InChIKey is JEIGYYRPZKVMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(4-3-9-19)18-14-12(16(20)21)5-2-6-13(14)17-15(18)11-7-8-11/h2,5-6,10-11,19H,3-4,7-9H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).