2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide

C13H14N4O2 — CID 91091221

IUPAC2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(-c2nc(C(N)=O)c(C(N)=O)[nH]2)c(C)c1
InChIInChI=1S/C13H14N4O2/c1-6-3-4-8(7(2)5-6)13-16-9(11(14)18)10(17-13)12(15)19/h3-5H,1-2H3,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyQHHVSXLALIGNAF-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.89
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide

2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 91091221) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID91091221
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(-c2nc(C(N)=O)c(C(N)=O)[nH]2)c(C)c1
InChIInChI=1S/C13H14N4O2/c1-6-3-4-8(7(2)5-6)13-16-9(11(14)18)10(17-13)12(15)19/h3-5H,1-2H3,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyQHHVSXLALIGNAF-UHFFFAOYSA-N
XLogP0.89
TPSA114.86 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 ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
4-(2,4-dimethylphenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 116824077
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
ethyl 5-[2-(1-adamantyl)ethyl]-2-(2,4-dimethylphenyl)-1H-imidazole-4-carboxylate
CID 57033801
2-[2-(2,4-dimethylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82478341
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404458
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
2-acetyl-1H-imidazole-4,5-dicarboxamide
CID 101076456
[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone
CID 135843580
2-bromo-1H-imidazole-4,5-dicarboxamide
CID 102460611

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 91091221) is 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1ccc(-c2nc(C(N)=O)c(C(N)=O)[nH]2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is QHHVSXLALIGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-6-3-4-8(7(2)5-6)13-16-9(11(14)18)10(17-13)12(15)19/h3-5H,1-2H3,(H2,14,18)(H2,15,19)(H,16,17).
What are the key properties of 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide?
2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 91091221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).