1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole

C24H20N4 — CID 130177821

IUPAC1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole
SMILESCc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1
InChIInChI=1S/C24H20N4/c1-18-6-9-21(14-24(18)27-13-12-25-16-27)20-10-7-19(8-11-20)15-28-17-26-22-4-2-3-5-23(22)28/h2-14,16-17H,15H2,1H3
InChIKeyNSAYWHVWCIHVMR-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.25
Rot. Bonds4

About 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole

1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole (PubChem CID 130177821) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole
PubChem CID130177821
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole
SMILESCc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1
InChIInChI=1S/C24H20N4/c1-18-6-9-21(14-24(18)27-13-12-25-16-27)20-10-7-19(8-11-20)15-28-17-26-22-4-2-3-5-23(22)28/h2-14,16-17H,15H2,1H3
InChIKeyNSAYWHVWCIHVMR-UHFFFAOYSA-N
XLogP5.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole?
The IUPAC name of 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole (CID 130177821) is 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole is Cc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.
What is the InChIKey of 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole?
The InChIKey is NSAYWHVWCIHVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-18-6-9-21(14-24(18)27-13-12-25-16-27)20-10-7-19(8-11-20)15-28-17-26-22-4-2-3-5-23(22)28/h2-14,16-17H,15H2,1H3.
What are the key properties of 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole?
1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole has a molecular weight of 364.45 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole is sourced from PubChem (CID 130177821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).