2-acetyl-1H-imidazole-4,5-dicarboxamide

C7H8N4O3 — CID 101076456

IUPAC2-acetyl-1H-imidazole-4,5-dicarboxamide
SMILESCC(=O)c1nc(C(N)=O)c(C(N)=O)[nH]1
InChIInChI=1S/C7H8N4O3/c1-2(12)7-10-3(5(8)13)4(11-7)6(9)14/h1H3,(H2,8,13)(H2,9,14)(H,10,11)
InChIKeyXDMDKCFBPINDEW-UHFFFAOYSA-N
MW196.17 g/mol
LogP-1.19
Rot. Bonds3

About 2-acetyl-1H-imidazole-4,5-dicarboxamide

2-acetyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 101076456) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-acetyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name2-acetyl-1H-imidazole-4,5-dicarboxamide
PubChem CID101076456
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-acetyl-1H-imidazole-4,5-dicarboxamide
SMILESCC(=O)c1nc(C(N)=O)c(C(N)=O)[nH]1
InChIInChI=1S/C7H8N4O3/c1-2(12)7-10-3(5(8)13)4(11-7)6(9)14/h1H3,(H2,8,13)(H2,9,14)(H,10,11)
InChIKeyXDMDKCFBPINDEW-UHFFFAOYSA-N
XLogP-1.19
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 2-acetyl-1H-imidazole-4,5-dicarboxamide (CID 101076456) is 2-acetyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 2-acetyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 2-acetyl-1H-imidazole-4,5-dicarboxamide is CC(=O)c1nc(C(N)=O)c(C(N)=O)[nH]1.
What is the InChIKey of 2-acetyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is XDMDKCFBPINDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-2(12)7-10-3(5(8)13)4(11-7)6(9)14/h1H3,(H2,8,13)(H2,9,14)(H,10,11).
What are the key properties of 2-acetyl-1H-imidazole-4,5-dicarboxamide?
2-acetyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 196.17 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 101076456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).