N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide

C23H26N4O2 — CID 1096812

IUPACN'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide
SMILESCc1ccc(-c2cnc(NC(=O)CCC(=O)N(C)Cc3ccccc3)n2C)cc1
InChIInChI=1S/C23H26N4O2/c1-17-9-11-19(12-10-17)20-15-24-23(27(20)3)25-21(28)13-14-22(29)26(2)16-18-7-5-4-6-8-18/h4-12,15H,13-14,16H2,1-3H3,(H,24,25,28)
InChIKeyJSKMAUMKMVZHBA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.77
Rot. Bonds7

About N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide

N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide (PubChem CID 1096812) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide
PubChem CID1096812
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide
SMILESCc1ccc(-c2cnc(NC(=O)CCC(=O)N(C)Cc3ccccc3)n2C)cc1
InChIInChI=1S/C23H26N4O2/c1-17-9-11-19(12-10-17)20-15-24-23(27(20)3)25-21(28)13-14-22(29)26(2)16-18-7-5-4-6-8-18/h4-12,15H,13-14,16H2,1-3H3,(H,24,25,28)
InChIKeyJSKMAUMKMVZHBA-UHFFFAOYSA-N
XLogP3.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
5-(Azetidine-1-carbonyl)-2,3-dimethyl-3H-imidazole-4-carboxylic acid [2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-amide
CID 71288703
7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
CID 156596361
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
12-(Cyclohexylmethyl)-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11047145
N-acetyl-N-(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)acetamide
CID 9557161
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
4-(5-Methylimidazol-1-yl)-2,2-diphenylbutanamide
CID 44296897
N,N-dimethyl-4,5-diphenylimidazole-1-carboxamide
CID 807058
N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 843189
Benzyl-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096462
2-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 16009114

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
The IUPAC name of N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide (CID 1096812) is N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide.
What is the SMILES notation for N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
The canonical SMILES for N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide is Cc1ccc(-c2cnc(NC(=O)CCC(=O)N(C)Cc3ccccc3)n2C)cc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
The InChIKey is JSKMAUMKMVZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-9-11-19(12-10-17)20-15-24-23(27(20)3)25-21(28)13-14-22(29)26(2)16-18-7-5-4-6-8-18/h4-12,15H,13-14,16H2,1-3H3,(H,24,25,28).
What are the key properties of N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide has a molecular weight of 390.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide is sourced from PubChem (CID 1096812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).