2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole

C27H22N2O — CID 57403846

IUPAC2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C27H22N2O/c1-18-3-16-25-26(17-18)29-27(28-25)23-10-8-21(9-11-23)19-4-6-20(7-5-19)22-12-14-24(30-2)15-13-22/h3-17H,1-2H3,(H,28,29)
InChIKeyPPVBSMAVZYMHBJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.88
Rot. Bonds4

About 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole

2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole (PubChem CID 57403846) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole
PubChem CID57403846
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C27H22N2O/c1-18-3-16-25-26(17-18)29-27(28-25)23-10-8-21(9-11-23)19-4-6-20(7-5-19)22-12-14-24(30-2)15-13-22/h3-17H,1-2H3,(H,28,29)
InChIKeyPPVBSMAVZYMHBJ-UHFFFAOYSA-N
XLogP6.88
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole (CID 57403846) is 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole is COc1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole?
The InChIKey is PPVBSMAVZYMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-18-3-16-25-26(17-18)29-27(28-25)23-10-8-21(9-11-23)19-4-6-20(7-5-19)22-12-14-24(30-2)15-13-22/h3-17H,1-2H3,(H,28,29).
What are the key properties of 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole?
2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole has a molecular weight of 390.49 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 57403846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).