N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide

C32H33ClN4O3 — CID 98436182

IUPACN-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)cc1C
InChIInChI=1S/C32H33ClN4O3/c1-22-10-15-27(17-23(22)2)37-20-29(25-11-13-26(33)14-12-25)34-32(37)35-30(38)21-36(19-28-9-6-16-40-28)31(39)18-24-7-4-3-5-8-24/h3-5,7-8,10-15,17,20,28H,6,9,16,18-19,21H2,1-2H3,(H,34,35,38)/t28-/m1/s1
InChIKeyDNJHHPVWARJCSQ-MUUNZHRXSA-N
MW557.09 g/mol
LogP6.00
Rot. Bonds9

About N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide

N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide (PubChem CID 98436182) has the molecular formula C32H33ClN4O3 and a molecular weight of 557.09 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
PubChem CID98436182
Molecular FormulaC32H33ClN4O3
Molecular Weight557.09 g/mol
Exact Mass556.22
IUPAC NameN-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)cc1C
InChIInChI=1S/C32H33ClN4O3/c1-22-10-15-27(17-23(22)2)37-20-29(25-11-13-26(33)14-12-25)34-32(37)35-30(38)21-36(19-28-9-6-16-40-28)31(39)18-24-7-4-3-5-8-24/h3-5,7-8,10-15,17,20,28H,6,9,16,18-19,21H2,1-2H3,(H,34,35,38)/t28-/m1/s1
InChIKeyDNJHHPVWARJCSQ-MUUNZHRXSA-N
XLogP6.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.09
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide 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

N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98438256
N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]acetamide
CID 46144666
N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide
CID 93150451
2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827225
2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98438252
4-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405658
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98441779
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 98443031
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 98443032
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
2-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405670
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418681

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide (CID 98436182) is N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)cc1C.
What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
The InChIKey is DNJHHPVWARJCSQ-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H33ClN4O3/c1-22-10-15-27(17-23(22)2)37-20-29(25-11-13-26(33)14-12-25)34-32(37)35-30(38)21-36(19-28-9-6-16-40-28)31(39)18-24-7-4-3-5-8-24/h3-5,7-8,10-15,17,20,28H,6,9,16,18-19,21H2,1-2H3,(H,34,35,38)/t28-/m1/s1.
What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide has a molecular weight of 557.09 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 98436182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).