2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

C31H30Cl2N4O3 — CID 42827225

IUPAC2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CCCO2)C(=O)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C31H30Cl2N4O3/c1-20-10-12-24(15-21(20)2)37-18-28(22-7-4-3-5-8-22)34-31(37)35-29(38)19-36(17-25-9-6-14-40-25)30(39)26-13-11-23(32)16-27(26)33/h3-5,7-8,10-13,15-16,18,25H,6,9,14,17,19H2,1-2H3,(H,34,35,38)
InChIKeyZNQQAPGZXXGYJM-UHFFFAOYSA-N
MW577.51 g/mol
LogP6.72
Rot. Bonds8

About 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42827225) has the molecular formula C31H30Cl2N4O3 and a molecular weight of 577.51 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42827225
Molecular FormulaC31H30Cl2N4O3
Molecular Weight577.51 g/mol
Exact Mass576.17
IUPAC Name2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CCCO2)C(=O)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C31H30Cl2N4O3/c1-20-10-12-24(15-21(20)2)37-18-28(22-7-4-3-5-8-22)34-31(37)35-29(38)19-36(17-25-9-6-14-40-25)30(39)26-13-11-23(32)16-27(26)33/h3-5,7-8,10-13,15-16,18,25H,6,9,14,17,19H2,1-2H3,(H,34,35,38)
InChIKeyZNQQAPGZXXGYJM-UHFFFAOYSA-N
XLogP6.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.51
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98438256
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46144328
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
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
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-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 98443032
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-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418681
N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]acetamide
CID 46144666

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 42827225) is 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CCCO2)C(=O)c2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is ZNQQAPGZXXGYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30Cl2N4O3/c1-20-10-12-24(15-21(20)2)37-18-28(22-7-4-3-5-8-22)34-31(37)35-29(38)19-36(17-25-9-6-14-40-25)30(39)26-13-11-23(32)16-27(26)33/h3-5,7-8,10-13,15-16,18,25H,6,9,14,17,19H2,1-2H3,(H,34,35,38).
What are the key properties of 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 577.51 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42827225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).