2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol

C25H17ClN2O — CID 57400342

IUPAC2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol
SMILESOc1cccc2[nH]c(-c3ccc(-c4ccc(-c5cccc(Cl)c5)cc4)cc3)nc12
InChIInChI=1S/C25H17ClN2O/c26-21-4-1-3-20(15-21)18-9-7-16(8-10-18)17-11-13-19(14-12-17)25-27-22-5-2-6-23(29)24(22)28-25/h1-15,29H,(H,27,28)
InChIKeyGEJUIODLEBXXGU-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.92
Rot. Bonds3

About 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol

2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol (PubChem CID 57400342) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol
PubChem CID57400342
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol
SMILESOc1cccc2[nH]c(-c3ccc(-c4ccc(-c5cccc(Cl)c5)cc4)cc3)nc12
InChIInChI=1S/C25H17ClN2O/c26-21-4-1-3-20(15-21)18-9-7-16(8-10-18)17-11-13-19(14-12-17)25-27-22-5-2-6-23(29)24(22)28-25/h1-15,29H,(H,27,28)
InChIKeyGEJUIODLEBXXGU-UHFFFAOYSA-N
XLogP6.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol?
The IUPAC name of 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol (CID 57400342) is 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol.
What is the SMILES notation for 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol?
The canonical SMILES for 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol is Oc1cccc2[nH]c(-c3ccc(-c4ccc(-c5cccc(Cl)c5)cc4)cc3)nc12.
What is the InChIKey of 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol?
The InChIKey is GEJUIODLEBXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O/c26-21-4-1-3-20(15-21)18-9-7-16(8-10-18)17-11-13-19(14-12-17)25-27-22-5-2-6-23(29)24(22)28-25/h1-15,29H,(H,27,28).
What are the key properties of 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol?
2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol has a molecular weight of 396.88 g/mol, XLogP of 6.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-chlorophenyl)phenyl]phenyl]-1H-benzimidazol-4-ol is sourced from PubChem (CID 57400342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).