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

C9H17N3O — CID 80560413

IUPAC4-amino-5-methyl-5-pentyl-1H-imidazol-2-one
SMILESCCCCCC1(C)NC(=O)N=C1N
InChIInChI=1S/C9H17N3O/c1-3-4-5-6-9(2)7(10)11-8(13)12-9/h3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyLNCUCKDTJCXCGV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds4

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

4-amino-5-methyl-5-pentyl-1H-imidazol-2-one (PubChem CID 80560413) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-5-pentyl-1H-imidazol-2-one
PubChem CID80560413
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-5-methyl-5-pentyl-1H-imidazol-2-one
SMILESCCCCCC1(C)NC(=O)N=C1N
InChIInChI=1S/C9H17N3O/c1-3-4-5-6-9(2)7(10)11-8(13)12-9/h3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyLNCUCKDTJCXCGV-UHFFFAOYSA-N
XLogP1.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-hexyl-4-methyl-1H-imidazol-5-one
CID 82997984
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one
CID 79962300
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione
CID 12008284
4-amino-5-hexylideneimidazol-2-one
CID 56991494
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one
CID 79959823
2-amino-5-butyl-5-methyl-1,3-oxazol-4-one
CID 131091998
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
heptane;pyrrole-2,5-dione
CID 159979894

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one?
The IUPAC name of 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one (CID 80560413) is 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one.
What is the SMILES notation for 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one?
The canonical SMILES for 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one is CCCCCC1(C)NC(=O)N=C1N.
What is the InChIKey of 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one?
The InChIKey is LNCUCKDTJCXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-5-6-9(2)7(10)11-8(13)12-9/h3-6H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one?
4-amino-5-methyl-5-pentyl-1H-imidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-5-pentyl-1H-imidazol-2-one is sourced from PubChem (CID 80560413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).