2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid

C16H20N2O3 — CID 64604500

IUPAC2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
SMILESCOCCC(C)n1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O3/c1-10(7-8-21-2)18-14-6-5-12(16(19)20)9-13(14)17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyGCOXCWLUPJSUHP-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.21
Rot. Bonds6

About 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid

2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 64604500) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
PubChem CID64604500
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
SMILESCOCCC(C)n1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O3/c1-10(7-8-21-2)18-14-6-5-12(16(19)20)9-13(14)17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyGCOXCWLUPJSUHP-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid (CID 64604500) is 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid is COCCC(C)n1c(C2CC2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is GCOXCWLUPJSUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(7-8-21-2)18-14-6-5-12(16(19)20)9-13(14)17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid?
2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 64604500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).