2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol

C20H16N2O2 — CID 140987224

IUPAC2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
SMILESCOc1cc(-c2nc3ccc(-c4ccccc4)cc3[nH]2)ccc1O
InChIInChI=1S/C20H16N2O2/c1-24-19-12-15(8-10-18(19)23)20-21-16-9-7-14(11-17(16)22-20)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,22)
InChIKeyFXYDOQLSXDAWCO-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.61
Rot. Bonds3

About 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol

2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol (PubChem CID 140987224) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
PubChem CID140987224
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
SMILESCOc1cc(-c2nc3ccc(-c4ccccc4)cc3[nH]2)ccc1O
InChIInChI=1S/C20H16N2O2/c1-24-19-12-15(8-10-18(19)23)20-21-16-9-7-14(11-17(16)22-20)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,22)
InChIKeyFXYDOQLSXDAWCO-UHFFFAOYSA-N
XLogP4.61
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
CID 135616944
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 10048048
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
CID 81432559
5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one
CID 135458205
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
2-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 11280567
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol (CID 140987224) is 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol is COc1cc(-c2nc3ccc(-c4ccccc4)cc3[nH]2)ccc1O.
What is the InChIKey of 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol?
The InChIKey is FXYDOQLSXDAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-19-12-15(8-10-18(19)23)20-21-16-9-7-14(11-17(16)22-20)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,22).
What are the key properties of 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol?
2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol has a molecular weight of 316.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 140987224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).