2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

C31H30Cl3N5O3 — CID 83277586

IUPAC2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C31H30Cl3N5O3/c1-21-2-9-25(10-3-21)39-19-28(22-4-6-23(32)7-5-22)35-31(39)36-29(40)20-38(13-12-37-14-16-42-17-15-37)30(41)26-11-8-24(33)18-27(26)34/h2-11,18-19H,12-17,20H2,1H3,(H,35,36,40)
InChIKeyZDLLLJLAGUVGGZ-UHFFFAOYSA-N
MW626.97 g/mol
LogP6.22
Rot. Bonds9

About 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 83277586) has the molecular formula C31H30Cl3N5O3 and a molecular weight of 626.97 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID83277586
Molecular FormulaC31H30Cl3N5O3
Molecular Weight626.97 g/mol
Exact Mass625.14
IUPAC Name2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C31H30Cl3N5O3/c1-21-2-9-25(10-3-21)39-19-28(22-4-6-23(32)7-5-22)35-31(39)36-29(40)20-38(13-12-37-14-16-42-17-15-37)30(41)26-11-8-24(33)18-27(26)34/h2-11,18-19H,12-17,20H2,1H3,(H,35,36,40)
InChIKeyZDLLLJLAGUVGGZ-UHFFFAOYSA-N
XLogP6.22
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.97
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42828243
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42826033
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-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 42828250
2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
CID 42826540
2,4-dichloro-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827225
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46146259
N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 42828474
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 91633749
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylcyclopropanecarboxamide
CID 42828267
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828307

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 83277586) is 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ZDLLLJLAGUVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30Cl3N5O3/c1-21-2-9-25(10-3-21)39-19-28(22-4-6-23(32)7-5-22)35-31(39)36-29(40)20-38(13-12-37-14-16-42-17-15-37)30(41)26-11-8-24(33)18-27(26)34/h2-11,18-19H,12-17,20H2,1H3,(H,35,36,40).
What are the key properties of 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 626.97 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 83277586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).