2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide

C21H18N4O — CID 135535997

IUPAC2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)n(C)c2c1
InChIInChI=1S/C21H18N4O/c1-25-18-12-14(20(22)23)10-11-17(18)24-21(25)16-9-5-8-15(19(16)26)13-6-3-2-4-7-13/h2-12,26H,1H3,(H3,22,23)
InChIKeyIZAINCYFHMACPY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.90
Rot. Bonds3

About 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide

2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide (PubChem CID 135535997) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide
PubChem CID135535997
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)n(C)c2c1
InChIInChI=1S/C21H18N4O/c1-25-18-12-14(20(22)23)10-11-17(18)24-21(25)16-9-5-8-15(19(16)26)13-6-3-2-4-7-13/h2-12,26H,1H3,(H3,22,23)
InChIKeyIZAINCYFHMACPY-UHFFFAOYSA-N
XLogP3.90
TPSA87.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide (CID 135535997) is 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)n(C)c2c1.
What is the InChIKey of 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide?
The InChIKey is IZAINCYFHMACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-25-18-12-14(20(22)23)10-11-17(18)24-21(25)16-9-5-8-15(19(16)26)13-6-3-2-4-7-13/h2-12,26H,1H3,(H3,22,23).
What are the key properties of 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide?
2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide has a molecular weight of 342.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide is sourced from PubChem (CID 135535997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).