[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone

C24H18ClFN2O2 — CID 11281595

IUPAC[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18ClFN2O2/c1-30-21-12-4-17(5-13-21)24(29)22-15-28(20-10-6-18(25)7-11-20)23(27-22)14-16-2-8-19(26)9-3-16/h2-13,15H,14H2,1H3
InChIKeyMVRKOVFSJVOBFO-UHFFFAOYSA-N
MW420.87 g/mol
LogP5.50
Rot. Bonds6

About [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone

[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 11281595) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone
PubChem CID11281595
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18ClFN2O2/c1-30-21-12-4-17(5-13-21)24(29)22-15-28(20-10-6-18(25)7-11-20)23(27-22)14-16-2-8-19(26)9-3-16/h2-13,15H,14H2,1H3
InChIKeyMVRKOVFSJVOBFO-UHFFFAOYSA-N
XLogP5.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.87
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone (CID 11281595) is [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MVRKOVFSJVOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c1-30-21-12-4-17(5-13-21)24(29)22-15-28(20-10-6-18(25)7-11-20)23(27-22)14-16-2-8-19(26)9-3-16/h2-13,15H,14H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone?
[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 420.87 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11281595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).