1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole

C22H20N4O — CID 24852225

IUPAC1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole
SMILESCOc1cc(/C=C/c2ncc(-c3ccccc3)[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20N4O/c1-16-14-26(15-24-16)20-10-8-17(12-21(20)27-2)9-11-22-23-13-19(25-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,23,25)/b11-9+
InChIKeyRCLLKUOOBHJCTE-PKNBQFBNSA-N
MW356.43 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole

1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole (PubChem CID 24852225) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole.

Molecular Properties

Compound Name1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole
PubChem CID24852225
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole
SMILESCOc1cc(/C=C/c2ncc(-c3ccccc3)[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20N4O/c1-16-14-26(15-24-16)20-10-8-17(12-21(20)27-2)9-11-22-23-13-19(25-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,23,25)/b11-9+
InChIKeyRCLLKUOOBHJCTE-PKNBQFBNSA-N
XLogP4.75
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole?
The IUPAC name of 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole (CID 24852225) is 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole.
What is the SMILES notation for 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole?
The canonical SMILES for 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole is COc1cc(/C=C/c2ncc(-c3ccccc3)[nH]2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole?
The InChIKey is RCLLKUOOBHJCTE-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-14-26(15-24-16)20-10-8-17(12-21(20)27-2)9-11-22-23-13-19(25-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,23,25)/b11-9+.
What are the key properties of 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole?
1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole has a molecular weight of 356.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[(E)-2-(5-phenyl-1H-imidazol-2-yl)ethenyl]phenyl]-4-methylimidazole is sourced from PubChem (CID 24852225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).