5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide

C10H18N4O — CID 22965856

IUPAC5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(n1cnc(C(N)=O)c1N)C(C)(C)C
InChIInChI=1S/C10H18N4O/c1-6(10(2,3)4)14-5-13-7(8(14)11)9(12)15/h5-6H,11H2,1-4H3,(H2,12,15)
InChIKeyODXVTQKUTSKROU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds2

About 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide

5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 22965856) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
PubChem CID22965856
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(n1cnc(C(N)=O)c1N)C(C)(C)C
InChIInChI=1S/C10H18N4O/c1-6(10(2,3)4)14-5-13-7(8(14)11)9(12)15/h5-6H,11H2,1-4H3,(H2,12,15)
InChIKeyODXVTQKUTSKROU-UHFFFAOYSA-N
XLogP1.17
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide (CID 22965856) is 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide is CC(n1cnc(C(N)=O)c1N)C(C)(C)C.
What is the InChIKey of 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is ODXVTQKUTSKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(10(2,3)4)14-5-13-7(8(14)11)9(12)15/h5-6H,11H2,1-4H3,(H2,12,15).
What are the key properties of 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide?
5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 22965856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).