2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid

C16H18N2O2 — CID 82773778

IUPAC2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CC3)n(CCC3CC3)c2c1
InChIInChI=1S/C16H18N2O2/c19-16(20)12-5-6-13-14(9-12)18(8-7-10-1-2-10)15(17-13)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H,19,20)
InChIKeyVNHUVXTWBZPYNV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds5

About 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid

2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid (PubChem CID 82773778) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
PubChem CID82773778
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CC3)n(CCC3CC3)c2c1
InChIInChI=1S/C16H18N2O2/c19-16(20)12-5-6-13-14(9-12)18(8-7-10-1-2-10)15(17-13)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H,19,20)
InChIKeyVNHUVXTWBZPYNV-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid (CID 82773778) is 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(C3CC3)n(CCC3CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is VNHUVXTWBZPYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)12-5-6-13-14(9-12)18(8-7-10-1-2-10)15(17-13)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid?
2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82773778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).