3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one

C20H22ClN3O2 — CID 56520583

IUPAC3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one
SMILESCOc1cccc(CN(C)Cn2cc(C)n(-c3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C20H22ClN3O2/c1-15-12-23(20(25)24(15)18-9-7-17(21)8-10-18)14-22(2)13-16-5-4-6-19(11-16)26-3/h4-12H,13-14H2,1-3H3
InChIKeyCPKWXSVUHXUTOB-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.70
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one

3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one (PubChem CID 56520583) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one
PubChem CID56520583
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one
SMILESCOc1cccc(CN(C)Cn2cc(C)n(-c3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C20H22ClN3O2/c1-15-12-23(20(25)24(15)18-9-7-17(21)8-10-18)14-22(2)13-16-5-4-6-19(11-16)26-3/h4-12H,13-14H2,1-3H3
InChIKeyCPKWXSVUHXUTOB-UHFFFAOYSA-N
XLogP3.70
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one (CID 56520583) is 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one is COc1cccc(CN(C)Cn2cc(C)n(-c3ccc(Cl)cc3)c2=O)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one?
The InChIKey is CPKWXSVUHXUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-15-12-23(20(25)24(15)18-9-7-17(21)8-10-18)14-22(2)13-16-5-4-6-19(11-16)26-3/h4-12H,13-14H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one?
3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one has a molecular weight of 371.87 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one is sourced from PubChem (CID 56520583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).