5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide

C15H26N4O2 — CID 46264456

IUPAC5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-10(2)6-7-16-13(20)11-12(19-9-18-11)14(21)17-8-15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyGOCNQIQEUZHDMZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds6

About 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide

5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264456) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46264456
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-10(2)6-7-16-13(20)11-12(19-9-18-11)14(21)17-8-15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyGOCNQIQEUZHDMZ-UHFFFAOYSA-N
XLogP1.96
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.96
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-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide (CID 46264456) is 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide is CC(C)CCNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is GOCNQIQEUZHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)6-7-16-13(20)11-12(19-9-18-11)14(21)17-8-15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(2,2-dimethylpropyl)-4-N-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.96, 6 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-(3-methylbutyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).