5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide

C12H20N4O2 — CID 46264443

IUPAC5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C
InChIInChI=1S/C12H20N4O2/c1-5-13-10(17)8-9(16-7-15-8)11(18)14-6-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyGOJVMHGRCCCLFF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.94
Rot. Bonds4

About 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide

5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264443) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide
PubChem CID46264443
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C
InChIInChI=1S/C12H20N4O2/c1-5-13-10(17)8-9(16-7-15-8)11(18)14-6-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyGOJVMHGRCCCLFF-UHFFFAOYSA-N
XLogP0.94
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide (CID 46264443) is 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide is CCNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is GOJVMHGRCCCLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-13-10(17)8-9(16-7-15-8)11(18)14-6-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide?
5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).