2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid

C14H16N2O4 — CID 115543789

IUPAC2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(C1CC1)n2C(CO)CO
InChIInChI=1S/C14H16N2O4/c17-6-9(7-18)16-11-3-1-2-10(14(19)20)12(11)15-13(16)8-4-5-8/h1-3,8-9,17-18H,4-7H2,(H,19,20)
InChIKeyHNTFSCCLSYDTIH-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.14
Rot. Bonds5

About 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid

2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid (PubChem CID 115543789) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
PubChem CID115543789
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(C1CC1)n2C(CO)CO
InChIInChI=1S/C14H16N2O4/c17-6-9(7-18)16-11-3-1-2-10(14(19)20)12(11)15-13(16)8-4-5-8/h1-3,8-9,17-18H,4-7H2,(H,19,20)
InChIKeyHNTFSCCLSYDTIH-UHFFFAOYSA-N
XLogP1.14
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
CID 115543140
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115543871
2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
CID 115933617
1-pentan-3-yl-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115542985
2-tert-butyl-1-(3-methylbutan-2-yl)benzimidazole-4-carboxylic acid
CID 115542872
1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide
CID 18428172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid (CID 115543789) is 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1nc(C1CC1)n2C(CO)CO.
What is the InChIKey of 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid?
The InChIKey is HNTFSCCLSYDTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-6-9(7-18)16-11-3-1-2-10(14(19)20)12(11)15-13(16)8-4-5-8/h1-3,8-9,17-18H,4-7H2,(H,19,20).
What are the key properties of 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid?
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).