N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide

C29H29ClN4O3 — CID 42828250

IUPACN-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1C
InChIInChI=1S/C29H29ClN4O3/c1-20-8-14-24(15-9-20)34-18-26(22-10-12-23(30)13-11-22)31-29(34)32-27(35)19-33(16-17-37-3)28(36)25-7-5-4-6-21(25)2/h4-15,18H,16-17,19H2,1-3H3,(H,31,32,35)
InChIKeyYHMFWDMOUOHIPN-UHFFFAOYSA-N
MW517.03 g/mol
LogP5.54
Rot. Bonds9

About N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide

N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide (PubChem CID 42828250) has the molecular formula C29H29ClN4O3 and a molecular weight of 517.03 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
PubChem CID42828250
Molecular FormulaC29H29ClN4O3
Molecular Weight517.03 g/mol
Exact Mass516.19
IUPAC NameN-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1C
InChIInChI=1S/C29H29ClN4O3/c1-20-8-14-24(15-9-20)34-18-26(22-10-12-23(30)13-11-22)31-29(34)32-27(35)19-33(16-17-37-3)28(36)25-7-5-4-6-21(25)2/h4-15,18H,16-17,19H2,1-3H3,(H,31,32,35)
InChIKeyYHMFWDMOUOHIPN-UHFFFAOYSA-N
XLogP5.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.03
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827258
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42826814
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 42826521
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 42828402
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42828379
N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827261
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
N-[2-[[4-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42825596
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42828159

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide?
The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide (CID 42828250) is N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide?
The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide is COCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1C.
What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide?
The InChIKey is YHMFWDMOUOHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3/c1-20-8-14-24(15-9-20)34-18-26(22-10-12-23(30)13-11-22)31-29(34)32-27(35)19-33(16-17-37-3)28(36)25-7-5-4-6-21(25)2/h4-15,18H,16-17,19H2,1-3H3,(H,31,32,35).
What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide?
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide has a molecular weight of 517.03 g/mol, XLogP of 5.54, 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-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 42828250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).