1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole

C22H19ClN4O — CID 24851745

IUPAC1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole
SMILESCOc1cc(/C=C/c2ncc(-c3ccc(Cl)cc3)[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H19ClN4O/c1-15-13-27(14-25-15)20-9-3-16(11-21(20)28-2)4-10-22-24-12-19(26-22)17-5-7-18(23)8-6-17/h3-14H,1-2H3,(H,24,26)/b10-4+
InChIKeyJMIMRKFFYGMRAA-ONNFQVAWSA-N
MW390.87 g/mol
LogP5.40
Rot. Bonds5

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

1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole (PubChem CID 24851745) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole.

Molecular Properties

Compound Name1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole
PubChem CID24851745
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole
SMILESCOc1cc(/C=C/c2ncc(-c3ccc(Cl)cc3)[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H19ClN4O/c1-15-13-27(14-25-15)20-9-3-16(11-21(20)28-2)4-10-22-24-12-19(26-22)17-5-7-18(23)8-6-17/h3-14H,1-2H3,(H,24,26)/b10-4+
InChIKeyJMIMRKFFYGMRAA-ONNFQVAWSA-N
XLogP5.40
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole?
The IUPAC name of 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole (CID 24851745) is 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole.
What is the SMILES notation for 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole?
The canonical SMILES for 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole is COc1cc(/C=C/c2ncc(-c3ccc(Cl)cc3)[nH]2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole?
The InChIKey is JMIMRKFFYGMRAA-ONNFQVAWSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-15-13-27(14-25-15)20-9-3-16(11-21(20)28-2)4-10-22-24-12-19(26-22)17-5-7-18(23)8-6-17/h3-14H,1-2H3,(H,24,26)/b10-4+.
What are the key properties of 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole?
1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole has a molecular weight of 390.87 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethenyl]-2-methoxyphenyl]-4-methylimidazole is sourced from PubChem (CID 24851745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).