2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide

C14H12N4O — CID 1506

IUPAC2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccccc3O)[nH]c2c1
InChIInChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
InChIKeyURJKRCBBKTXOHS-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.22
Rot. Bonds2

About 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide

2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide (PubChem CID 1506) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide
PubChem CID1506
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccccc3O)[nH]c2c1
InChIInChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
InChIKeyURJKRCBBKTXOHS-UHFFFAOYSA-N
XLogP2.22
TPSA98.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide (CID 1506) is 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccccc3O)[nH]c2c1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is URJKRCBBKTXOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18).
What are the key properties of 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide?
2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 1506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).