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

C13H20N4O2 — CID 46264440

IUPAC4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1[nH]cnc1C(=O)NC1CC1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)6-14-11(18)9-10(16-7-15-9)12(19)17-8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyMHKRYSDEXVLZIJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.08
Rot. Bonds4

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

4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264440) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46264440
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1[nH]cnc1C(=O)NC1CC1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)6-14-11(18)9-10(16-7-15-9)12(19)17-8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyMHKRYSDEXVLZIJ-UHFFFAOYSA-N
XLogP1.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide (CID 46264440) is 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide is CC(C)(C)CNC(=O)c1[nH]cnc1C(=O)NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is MHKRYSDEXVLZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)6-14-11(18)9-10(16-7-15-9)12(19)17-8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-N-(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).