2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

C28H27ClN4O3 — CID 42827258

IUPAC2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C28H27ClN4O3/c1-20-9-8-12-22(17-20)33-18-25(21-10-4-3-5-11-21)30-28(33)31-26(34)19-32(15-16-36-2)27(35)23-13-6-7-14-24(23)29/h3-14,17-18H,15-16,19H2,1-2H3,(H,30,31,34)
InChIKeyZZFDIQUXMXZHFO-UHFFFAOYSA-N
MW503.00 g/mol
LogP5.23
Rot. Bonds9

About 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 42827258) has the molecular formula C28H27ClN4O3 and a molecular weight of 503.00 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID42827258
Molecular FormulaC28H27ClN4O3
Molecular Weight503.00 g/mol
Exact Mass502.18
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C28H27ClN4O3/c1-20-9-8-12-22(17-20)33-18-25(21-10-4-3-5-11-21)30-28(33)31-26(34)19-32(15-16-36-2)27(35)23-13-6-7-14-24(23)29/h3-14,17-18H,15-16,19H2,1-2H3,(H,30,31,34)
InChIKeyZZFDIQUXMXZHFO-UHFFFAOYSA-N
XLogP5.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.00
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827261
2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827275
N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827262
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 42828250
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42826814
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46146259
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42828443
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide
CID 42828464
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93151678
2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 46145823
4-fluoro-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827282
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42828379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (CID 42827258) is 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZZFDIQUXMXZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O3/c1-20-9-8-12-22(17-20)33-18-25(21-10-4-3-5-11-21)30-28(33)31-26(34)19-32(15-16-36-2)27(35)23-13-6-7-14-24(23)29/h3-14,17-18H,15-16,19H2,1-2H3,(H,30,31,34).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 503.00 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42827258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).