1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one

C24H21ClN2O4 — CID 45028070

IUPAC1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one
SMILESCOc1cc(-c2cn(-c3ccc(Cl)cc3)c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H21ClN2O4/c1-29-21-13-16(14-22(30-2)23(21)31-3)20-15-26(18-11-9-17(25)10-12-18)24(28)27(20)19-7-5-4-6-8-19/h4-15H,1-3H3
InChIKeyBZOFSVJDHWVMFT-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.97
Rot. Bonds6

About 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one

1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one (PubChem CID 45028070) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one
PubChem CID45028070
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one
SMILESCOc1cc(-c2cn(-c3ccc(Cl)cc3)c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H21ClN2O4/c1-29-21-13-16(14-22(30-2)23(21)31-3)20-15-26(18-11-9-17(25)10-12-18)24(28)27(20)19-7-5-4-6-8-19/h4-15H,1-3H3
InChIKeyBZOFSVJDHWVMFT-UHFFFAOYSA-N
XLogP4.97
TPSA54.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one (CID 45028070) is 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one is COc1cc(-c2cn(-c3ccc(Cl)cc3)c(=O)n2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one?
The InChIKey is BZOFSVJDHWVMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-29-21-13-16(14-22(30-2)23(21)31-3)20-15-26(18-11-9-17(25)10-12-18)24(28)27(20)19-7-5-4-6-8-19/h4-15H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one?
1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one has a molecular weight of 436.90 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one is sourced from PubChem (CID 45028070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).