6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide

C20H15FN4O — CID 135559082

IUPAC6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F
InChIInChI=1S/C20H15FN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)
InChIKeyQXRGLPOCPFPVHS-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.03
Rot. Bonds3

About 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide

6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide (PubChem CID 135559082) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide
PubChem CID135559082
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F
InChIInChI=1S/C20H15FN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)
InChIKeyQXRGLPOCPFPVHS-UHFFFAOYSA-N
XLogP4.03
TPSA98.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.03
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 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide?
The IUPAC name of 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide (CID 135559082) is 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide?
The canonical SMILES for 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F.
What is the InChIKey of 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide?
The InChIKey is QXRGLPOCPFPVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25).
What are the key properties of 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide?
6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide has a molecular weight of 346.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 135559082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).