1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole

C28H24N2 — CID 16987368

IUPAC1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1
InChIInChI=1S/C28H24N2/c1-21-8-7-9-23(18-21)20-30-27-13-6-5-12-26(27)29-28(30)19-22-14-16-25(17-15-22)24-10-3-2-4-11-24/h2-18H,19-20H2,1H3
InChIKeyIFEISRDOZVWVRC-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.65
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole

1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole (PubChem CID 16987368) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
PubChem CID16987368
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1
InChIInChI=1S/C28H24N2/c1-21-8-7-9-23(18-21)20-30-27-13-6-5-12-26(27)29-28(30)19-22-14-16-25(17-15-22)24-10-3-2-4-11-24/h2-18H,19-20H2,1H3
InChIKeyIFEISRDOZVWVRC-UHFFFAOYSA-N
XLogP6.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987379
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(2,6-dichlorophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987371
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
(E)-3-[4-[(1-benzylbenzimidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740516
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole (CID 16987368) is 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole is Cc1cccc(Cn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The InChIKey is IFEISRDOZVWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-21-8-7-9-23(18-21)20-30-27-13-6-5-12-26(27)29-28(30)19-22-14-16-25(17-15-22)24-10-3-2-4-11-24/h2-18H,19-20H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole has a molecular weight of 388.51 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16987368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).