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

C24H20N4O — CID 86295969

IUPAC1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole
SMILESCOc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1
InChIInChI=1S/C24H20N4O/c1-29-24-11-10-20(14-23(24)27-13-12-25-16-27)19-8-6-18(7-9-19)15-28-17-26-21-4-2-3-5-22(21)28/h2-14,16-17H,15H2,1H3
InChIKeyXCUMIUYYQDLLJO-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.95
Rot. Bonds5

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

1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole (PubChem CID 86295969) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole
PubChem CID86295969
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole
SMILESCOc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1
InChIInChI=1S/C24H20N4O/c1-29-24-11-10-20(14-23(24)27-13-12-25-16-27)19-8-6-18(7-9-19)15-28-17-26-21-4-2-3-5-22(21)28/h2-14,16-17H,15H2,1H3
InChIKeyXCUMIUYYQDLLJO-UHFFFAOYSA-N
XLogP4.95
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole?
The IUPAC name of 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole (CID 86295969) is 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole is COc1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1-n1ccnc1.
What is the InChIKey of 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole?
The InChIKey is XCUMIUYYQDLLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-29-24-11-10-20(14-23(24)27-13-12-25-16-27)19-8-6-18(7-9-19)15-28-17-26-21-4-2-3-5-22(21)28/h2-14,16-17H,15H2,1H3.
What are the key properties of 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole?
1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole has a molecular weight of 380.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole is sourced from PubChem (CID 86295969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).