2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

C32H33Cl2N5O4 — CID 42826033

IUPAC2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C32H33Cl2N5O4/c1-2-43-26-10-6-9-25(20-26)39-21-29(23-7-4-3-5-8-23)35-32(39)36-30(40)22-38(14-13-37-15-17-42-18-16-37)31(41)27-12-11-24(33)19-28(27)34/h3-12,19-21H,2,13-18,22H2,1H3,(H,35,36,40)
InChIKeyWMLLRSSJFSVTKZ-UHFFFAOYSA-N
MW622.55 g/mol
LogP5.66
Rot. Bonds11

About 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42826033) has the molecular formula C32H33Cl2N5O4 and a molecular weight of 622.55 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42826033
Molecular FormulaC32H33Cl2N5O4
Molecular Weight622.55 g/mol
Exact Mass621.19
IUPAC Name2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C32H33Cl2N5O4/c1-2-43-26-10-6-9-25(20-26)39-21-29(23-7-4-3-5-8-23)35-32(39)36-30(40)22-38(14-13-37-15-17-42-18-16-37)31(41)27-12-11-24(33)19-28(27)34/h3-12,19-21H,2,13-18,22H2,1H3,(H,35,36,40)
InChIKeyWMLLRSSJFSVTKZ-UHFFFAOYSA-N
XLogP5.66
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46144328
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
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98440218
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
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-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827225
2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
CID 42826540
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98440219
2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide
CID 93149410
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144332
2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827275

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42826033) is 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is WMLLRSSJFSVTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N5O4/c1-2-43-26-10-6-9-25(20-26)39-21-29(23-7-4-3-5-8-23)35-32(39)36-30(40)22-38(14-13-37-15-17-42-18-16-37)31(41)27-12-11-24(33)19-28(27)34/h3-12,19-21H,2,13-18,22H2,1H3,(H,35,36,40).
What are the key properties of 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 622.55 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42826033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).