3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid

C14H16N2O3 — CID 114111185

IUPAC3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCC(C)(C1CC1)n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H16N2O3/c1-14(2,9-4-5-9)16-11-7-8(12(17)18)3-6-10(11)15-13(16)19/h3,6-7,9H,4-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGOXWEQFIZVXLLJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.17
Rot. Bonds3

About 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid

3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 114111185) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID114111185
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCC(C)(C1CC1)n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H16N2O3/c1-14(2,9-4-5-9)16-11-7-8(12(17)18)3-6-10(11)15-13(16)19/h3,6-7,9H,4-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGOXWEQFIZVXLLJ-UHFFFAOYSA-N
XLogP2.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 83015711
4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784318
3-(oxan-4-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784396
3-[2-(cyclopropylamino)-2-oxoethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783974
3-(oxan-2-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783976
4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784118
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328
3-(2-methylpentan-3-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784325
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
3-tert-butyl-5-methyl-1H-benzimidazol-2-one
CID 117208328
4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784190
3-(1-methoxypropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82781664

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 114111185) is 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid is CC(C)(C1CC1)n1c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is GOXWEQFIZVXLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,9-4-5-9)16-11-7-8(12(17)18)3-6-10(11)15-13(16)19/h3,6-7,9H,4-5H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 114111185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).