5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide

C10H12N6O2 — CID 66623703

IUPAC5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1nc(NC(=O)c2[nH]cnc2C(N)=O)[nH]c1C
InChIInChI=1S/C10H12N6O2/c1-4-5(2)15-10(14-4)16-9(18)7-6(8(11)17)12-3-13-7/h3H,1-2H3,(H2,11,17)(H,12,13)(H2,14,15,16,18)
InChIKeyFNINAVBZNHIJSS-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.10
Rot. Bonds3

About 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide

5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 66623703) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
PubChem CID66623703
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1nc(NC(=O)c2[nH]cnc2C(N)=O)[nH]c1C
InChIInChI=1S/C10H12N6O2/c1-4-5(2)15-10(14-4)16-9(18)7-6(8(11)17)12-3-13-7/h3H,1-2H3,(H2,11,17)(H,12,13)(H2,14,15,16,18)
InChIKeyFNINAVBZNHIJSS-UHFFFAOYSA-N
XLogP0.10
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide (CID 66623703) is 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide is Cc1nc(NC(=O)c2[nH]cnc2C(N)=O)[nH]c1C.
What is the InChIKey of 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is FNINAVBZNHIJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-4-5(2)15-10(14-4)16-9(18)7-6(8(11)17)12-3-13-7/h3H,1-2H3,(H2,11,17)(H,12,13)(H2,14,15,16,18).
What are the key properties of 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 248.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).