2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide

C30H31ClN4O4 — CID 70313986

IUPAC2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)Cc2cccc(Cl)c2)C(C)C)cc1OC
InChIInChI=1S/C30H31ClN4O4/c1-20(2)34(29(37)16-21-9-8-12-23(31)15-21)19-28(36)33-30-32-25(22-10-6-5-7-11-22)18-35(30)24-13-14-26(38-3)27(17-24)39-4/h5-15,17-18,20H,16,19H2,1-4H3,(H,32,33,36)
InChIKeyIRLAVVLEPYCZBF-UHFFFAOYSA-N
MW547.06 g/mol
LogP5.63
Rot. Bonds10

About 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 70313986) has the molecular formula C30H31ClN4O4 and a molecular weight of 547.06 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID70313986
Molecular FormulaC30H31ClN4O4
Molecular Weight547.06 g/mol
Exact Mass546.20
IUPAC Name2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)Cc2cccc(Cl)c2)C(C)C)cc1OC
InChIInChI=1S/C30H31ClN4O4/c1-20(2)34(29(37)16-21-9-8-12-23(31)15-21)19-28(36)33-30-32-25(22-10-6-5-7-11-22)18-35(30)24-13-14-26(38-3)27(17-24)39-4/h5-15,17-18,20H,16,19H2,1-4H3,(H,32,33,36)
InChIKeyIRLAVVLEPYCZBF-UHFFFAOYSA-N
XLogP5.63
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.06
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one
CID 45278657
2-(2-(4-chlorophenyl)-6-methoxy-1H-benzo[d]imidazol-1-yl)-N,2-dicyclohexylacetamide
CID 53321278
1-[(6-Chloro-3-pyridinyl)methyl]-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
CID 155533886
1-[(3-Chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
CID 155537798
1-[(4-Chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
CID 155542146
1-[(3-Chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 155566901
Pentanedioic acid [(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide pyridin-2-ylamide
CID 3197244
2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 15987942
2-(4-chlorophenyl)-N-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]pyrrolidin-3-yl]propanamide
CID 44525951
N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49792602
N-(4-chlorophenyl)-2-((5,6-dimethoxy-1H-benzo[d]imidazol-1-yl))benzamide
CID 44409071
N-(3,4-dimethoxyphenyl)-2-methyl-3-[methyl(3-phenylpropanoyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49789582

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 70313986) is 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide is COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)Cc2cccc(Cl)c2)C(C)C)cc1OC.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is IRLAVVLEPYCZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O4/c1-20(2)34(29(37)16-21-9-8-12-23(31)15-21)19-28(36)33-30-32-25(22-10-6-5-7-11-22)18-35(30)24-13-14-26(38-3)27(17-24)39-4/h5-15,17-18,20H,16,19H2,1-4H3,(H,32,33,36).
What are the key properties of 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 547.06 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 70313986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).