4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C12H11ClN4O2 — CID 965336

IUPAC4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O2/c1-14-11(18)9-10(16-6-15-9)12(19)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyWYSHKUBHJMZHDB-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.67
Rot. Bonds3

About 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 965336) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID965336
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O2/c1-14-11(18)9-10(16-6-15-9)12(19)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyWYSHKUBHJMZHDB-UHFFFAOYSA-N
XLogP1.67
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Arofylline
CID 166553
1-(4-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10851096
(2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester
CID 16746627
N,N'-bis(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 5178210
N-(3-chlorophenyl)-1H-imidazole-5-carboxamide
CID 5299205
7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one
CID 50942320
6H-Purin-6-one, 2-((3-chlorophenyl)amino)-1,9-dihydro-
CID 135435079
1H-Imidazole-4,5-dicarboxylic acid 4-[(4-fluoro-phenyl)-amide] 5-methylamide
CID 965337
N,N'-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 745568
1H-Imidazole-4,5-dicarboxylic acid 5-methylamide 4-o-tolylamide
CID 965334
5-N-benzyl-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736416
Ilp-IV-28
CID 16746611

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 965336) is 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is WYSHKUBHJMZHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-14-11(18)9-10(16-6-15-9)12(19)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 965336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).