2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide

C20H16N4O — CID 1504

IUPAC2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)
InChIKeyLMGQGPVCSYOMNS-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide

2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide (PubChem CID 1504) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide
PubChem CID1504
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)
InChIKeyLMGQGPVCSYOMNS-UHFFFAOYSA-N
XLogP3.89
TPSA98.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide (CID 1504) is 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1.
What is the InChIKey of 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is LMGQGPVCSYOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24).
What are the key properties of 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 328.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 1504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).