5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide

C13H14N4O2 — CID 965334

IUPAC5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1C
InChIInChI=1S/C13H14N4O2/c1-8-5-3-4-6-9(8)17-13(19)11-10(12(18)14-2)15-7-16-11/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyMHDGCBUHRLFUIG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.33
Rot. Bonds3

About 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 965334) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID965334
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1C
InChIInChI=1S/C13H14N4O2/c1-8-5-3-4-6-9(8)17-13(19)11-10(12(18)14-2)15-7-16-11/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyMHDGCBUHRLFUIG-UHFFFAOYSA-N
XLogP1.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424174
4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123706994
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024
4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134232339
5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736407
4-N-(4-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736421
4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123410514
N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 47009571
4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959593
4-N-[4-[(4-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424134
5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide
CID 122679392

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 965334) is 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1C.
What is the InChIKey of 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is MHDGCBUHRLFUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-5-3-4-6-9(8)17-13(19)11-10(12(18)14-2)15-7-16-11/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 965334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).