2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole

C23H22N4O — CID 24852226

IUPAC2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole
SMILESCOc1cc(/C=C/c2nc(-c3ccccc3)cn2C)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22N4O/c1-17-14-27(16-24-17)21-11-9-18(13-22(21)28-3)10-12-23-25-20(15-26(23)2)19-7-5-4-6-8-19/h4-16H,1-3H3/b12-10+
InChIKeyWGVNUPKENODMAA-ZRDIBKRKSA-N
MW370.46 g/mol
LogP4.76
Rot. Bonds5

About 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole

2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole (PubChem CID 24852226) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole.

Molecular Properties

Compound Name2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole
PubChem CID24852226
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole
SMILESCOc1cc(/C=C/c2nc(-c3ccccc3)cn2C)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22N4O/c1-17-14-27(16-24-17)21-11-9-18(13-22(21)28-3)10-12-23-25-20(15-26(23)2)19-7-5-4-6-8-19/h4-16H,1-3H3/b12-10+
InChIKeyWGVNUPKENODMAA-ZRDIBKRKSA-N
XLogP4.76
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole 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-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole?
The IUPAC name of 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole (CID 24852226) is 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole.
What is the SMILES notation for 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole?
The canonical SMILES for 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole is COc1cc(/C=C/c2nc(-c3ccccc3)cn2C)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole?
The InChIKey is WGVNUPKENODMAA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17-14-27(16-24-17)21-11-9-18(13-22(21)28-3)10-12-23-25-20(15-26(23)2)19-7-5-4-6-8-19/h4-16H,1-3H3/b12-10+.
What are the key properties of 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole?
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole has a molecular weight of 370.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole is sourced from PubChem (CID 24852226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).