2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol

C25H18N2O — CID 57402136

IUPAC2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol
SMILESOc1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)nc12
InChIInChI=1S/C25H18N2O/c28-23-8-4-7-22-24(23)27-25(26-22)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,28H,(H,26,27)
InChIKeyXIPDCSBEYWKTRL-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.27
Rot. Bonds3

About 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol

2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol (PubChem CID 57402136) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol
PubChem CID57402136
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol
SMILESOc1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)nc12
InChIInChI=1S/C25H18N2O/c28-23-8-4-7-22-24(23)27-25(26-22)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,28H,(H,26,27)
InChIKeyXIPDCSBEYWKTRL-UHFFFAOYSA-N
XLogP6.27
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol?
The IUPAC name of 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol (CID 57402136) is 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol.
What is the SMILES notation for 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol?
The canonical SMILES for 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol is Oc1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)nc12.
What is the InChIKey of 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol?
The InChIKey is XIPDCSBEYWKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c28-23-8-4-7-22-24(23)27-25(26-22)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,28H,(H,26,27).
What are the key properties of 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol?
2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol has a molecular weight of 362.43 g/mol, XLogP of 6.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylphenyl)phenyl]-1H-benzimidazol-4-ol is sourced from PubChem (CID 57402136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).