4,5-dimethyl-1H-imidazole-2-carboxamide

C6H9N3O — CID 45084072

IUPAC4,5-dimethyl-1H-imidazole-2-carboxamide
SMILESCc1nc(C(N)=O)[nH]c1C
InChIInChI=1S/C6H9N3O/c1-3-4(2)9-6(8-3)5(7)10/h1-2H3,(H2,7,10)(H,8,9)
InChIKeyVPWSOMDLVSIPSC-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.13
Rot. Bonds1

About 4,5-dimethyl-1H-imidazole-2-carboxamide

4,5-dimethyl-1H-imidazole-2-carboxamide (PubChem CID 45084072) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazole-2-carboxamide
PubChem CID45084072
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4,5-dimethyl-1H-imidazole-2-carboxamide
SMILESCc1nc(C(N)=O)[nH]c1C
InChIInChI=1S/C6H9N3O/c1-3-4(2)9-6(8-3)5(7)10/h1-2H3,(H2,7,10)(H,8,9)
InChIKeyVPWSOMDLVSIPSC-UHFFFAOYSA-N
XLogP0.13
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-1H-imidazole-2-carboxamide (CID 45084072) is 4,5-dimethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-1H-imidazole-2-carboxamide is Cc1nc(C(N)=O)[nH]c1C.
What is the InChIKey of 4,5-dimethyl-1H-imidazole-2-carboxamide?
The InChIKey is VPWSOMDLVSIPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-4(2)9-6(8-3)5(7)10/h1-2H3,(H2,7,10)(H,8,9).
What are the key properties of 4,5-dimethyl-1H-imidazole-2-carboxamide?
4,5-dimethyl-1H-imidazole-2-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 45084072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).