2-amino-4-hexyl-4-methyl-1H-imidazol-5-one

C10H19N3O — CID 82997984

IUPAC2-amino-4-hexyl-4-methyl-1H-imidazol-5-one
SMILESCCCCCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C10H19N3O/c1-3-4-5-6-7-10(2)8(14)12-9(11)13-10/h3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyNKKTZZWBBXFGCD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds5

About 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one

2-amino-4-hexyl-4-methyl-1H-imidazol-5-one (PubChem CID 82997984) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-hexyl-4-methyl-1H-imidazol-5-one
PubChem CID82997984
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-4-hexyl-4-methyl-1H-imidazol-5-one
SMILESCCCCCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C10H19N3O/c1-3-4-5-6-7-10(2)8(14)12-9(11)13-10/h3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyNKKTZZWBBXFGCD-UHFFFAOYSA-N
XLogP1.16
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one (CID 82997984) is 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one is CCCCCCC1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one?
The InChIKey is NKKTZZWBBXFGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-5-6-7-10(2)8(14)12-9(11)13-10/h3-7H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one?
2-amino-4-hexyl-4-methyl-1H-imidazol-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hexyl-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82997984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).