1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid

C11H10N2O3 — CID 83858260

IUPAC1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(O)cc2n1C1CC1
InChIInChI=1S/C11H10N2O3/c14-7-3-4-8-9(5-7)13(6-1-2-6)10(12-8)11(15)16/h3-6,14H,1-2H2,(H,15,16)
InChIKeyCNUZGPPPEYFQPQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.77
Rot. Bonds2

About 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid

1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid (PubChem CID 83858260) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
PubChem CID83858260
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(O)cc2n1C1CC1
InChIInChI=1S/C11H10N2O3/c14-7-3-4-8-9(5-7)13(6-1-2-6)10(12-8)11(15)16/h3-6,14H,1-2H2,(H,15,16)
InChIKeyCNUZGPPPEYFQPQ-UHFFFAOYSA-N
XLogP1.77
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone
CID 83858201
sodium 1-cyclopropylbenzimidazole-2-carboxylate
CID 131637596
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
3-cyclopentyl-2-hydrazinylbenzimidazol-5-ol
CID 115059646
7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid
CID 84794292
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903801
2-chloro-1-cyclopropylbenzimidazol-5-ol
CID 83834342
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 115038140

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid (CID 83858260) is 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid is O=C(O)c1nc2ccc(O)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid?
The InChIKey is CNUZGPPPEYFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-7-3-4-8-9(5-7)13(6-1-2-6)10(12-8)11(15)16/h3-6,14H,1-2H2,(H,15,16).
What are the key properties of 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid?
1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid is sourced from PubChem (CID 83858260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).