2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid

C10H7N3O3 — CID 131557267

IUPAC2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid
SMILESN#Cc1ccc2[nH]cnc2c1C(O)C(=O)O
InChIInChI=1S/C10H7N3O3/c11-3-5-1-2-6-8(13-4-12-6)7(5)9(14)10(15)16/h1-2,4,9,14H,(H,12,13)(H,15,16)
InChIKeySPPNAFTURKKPAK-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.55
Rot. Bonds2

About 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid

2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid (PubChem CID 131557267) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid
PubChem CID131557267
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid
SMILESN#Cc1ccc2[nH]cnc2c1C(O)C(=O)O
InChIInChI=1S/C10H7N3O3/c11-3-5-1-2-6-8(13-4-12-6)7(5)9(14)10(15)16/h1-2,4,9,14H,(H,12,13)(H,15,16)
InChIKeySPPNAFTURKKPAK-UHFFFAOYSA-N
XLogP0.55
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic 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

2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 131601802
4-(difluoromethyl)-1H-benzimidazole-5-carboxylic acid
CID 131609729
5-chloro-1H-benzimidazole-4-carbonitrile
CID 129319161
2-(6-cyano-1H-benzimidazol-4-yl)acetic acid
CID 131605396
5-methylsulfanyl-1H-benzimidazole-4-carboxylic acid
CID 131053155
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
2-hydroxy-2-(7-methoxy-3H-benzimidazol-5-yl)acetic acid
CID 131543322
2-[2-(1-bromo-2-oxopropyl)-6-cyanophenyl]-2-hydroxyacetic acid
CID 135740742
1H-benzimidazole-4-carboxylic acid
CID 2771758
2-(2-cyano-4-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 171026875
(4-propan-2-yl-1H-benzimidazol-5-yl)methanol
CID 154686552
2-[3-cyano-2-(difluoromethoxy)-6-formylphenyl]-2-hydroxyacetic acid
CID 171014865

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid (CID 131557267) is 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid is N#Cc1ccc2[nH]cnc2c1C(O)C(=O)O.
What is the InChIKey of 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid?
The InChIKey is SPPNAFTURKKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c11-3-5-1-2-6-8(13-4-12-6)7(5)9(14)10(15)16/h1-2,4,9,14H,(H,12,13)(H,15,16).
What are the key properties of 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid?
2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid has a molecular weight of 217.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-1H-benzimidazol-4-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 131557267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).