3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one

C22H26ClN3O3 — CID 56522246

IUPAC3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one
SMILESCOc1ccc(CCN(C)Cn2cc(C)n(-c3ccc(Cl)cc3)c2=O)cc1OC
InChIInChI=1S/C22H26ClN3O3/c1-16-14-25(22(27)26(16)19-8-6-18(23)7-9-19)15-24(2)12-11-17-5-10-20(28-3)21(13-17)29-4/h5-10,13-14H,11-12,15H2,1-4H3
InChIKeyJBIDQKBJIOPQSA-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.75
Rot. Bonds8

About 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one

3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one (PubChem CID 56522246) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one
PubChem CID56522246
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one
SMILESCOc1ccc(CCN(C)Cn2cc(C)n(-c3ccc(Cl)cc3)c2=O)cc1OC
InChIInChI=1S/C22H26ClN3O3/c1-16-14-25(22(27)26(16)19-8-6-18(23)7-9-19)15-24(2)12-11-17-5-10-20(28-3)21(13-17)29-4/h5-10,13-14H,11-12,15H2,1-4H3
InChIKeyJBIDQKBJIOPQSA-UHFFFAOYSA-N
XLogP3.75
TPSA48.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3aR,7aR)-2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6363602
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole-3-thione
CID 2379950
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376281
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-5-[1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazole-3-thione
CID 55430120
4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 23886824
3-(4-acetylphenyl)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methylimidazol-2-one
CID 166194762
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide
CID 3902581
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 67814076
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660597
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one (CID 56522246) is 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one is COc1ccc(CCN(C)Cn2cc(C)n(-c3ccc(Cl)cc3)c2=O)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one?
The InChIKey is JBIDQKBJIOPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-16-14-25(22(27)26(16)19-8-6-18(23)7-9-19)15-24(2)12-11-17-5-10-20(28-3)21(13-17)29-4/h5-10,13-14H,11-12,15H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one?
3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one has a molecular weight of 415.92 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-methylimidazol-2-one is sourced from PubChem (CID 56522246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).