2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one

C25H45N3O2 — CID 58425242

IUPAC2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one
SMILESCCCCC1(CCCC)N=C(N)N(CCCCCC(=O)CC2CCCCCC2)C1=O
InChIInChI=1S/C25H45N3O2/c1-3-5-17-25(18-6-4-2)23(30)28(24(26)27-25)19-13-9-12-16-22(29)20-21-14-10-7-8-11-15-21/h21H,3-20H2,1-2H3,(H2,26,27)
InChIKeyIQMGAPOOAZFAOR-UHFFFAOYSA-N
MW419.65 g/mol
LogP5.75
Rot. Bonds14

About 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one

2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one (PubChem CID 58425242) has the molecular formula C25H45N3O2 and a molecular weight of 419.65 g/mol. Its IUPAC name is 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one
PubChem CID58425242
Molecular FormulaC25H45N3O2
Molecular Weight419.65 g/mol
Exact Mass419.35
IUPAC Name2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one
SMILESCCCCC1(CCCC)N=C(N)N(CCCCCC(=O)CC2CCCCCC2)C1=O
InChIInChI=1S/C25H45N3O2/c1-3-5-17-25(18-6-4-2)23(30)28(24(26)27-25)19-13-9-12-16-22(29)20-21-14-10-7-8-11-15-21/h21H,3-20H2,1-2H3,(H2,26,27)
InChIKeyIQMGAPOOAZFAOR-UHFFFAOYSA-N
XLogP5.75
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylnonan-2-one
CID 22768059
1-cyclopentylundecan-2-one
CID 114966416
1-cyclopentylheptadecan-2-one
CID 142770613
2-amino-5-butyl-5-(cyclohexylmethyl)-3-[[4-[3-oxo-7-(2-oxopyrrolidin-1-yl)heptyl]phenyl]methyl]imidazol-4-one
CID 58425391
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-(4-methylhexyl)imidazol-4-one
CID 143064497
2-amino-5-butyl-5-(cyclohexylmethyl)-3-[[4-(methylaminomethyl)phenyl]methyl]imidazol-4-one
CID 118926007
8-amino-1-cyclohexyloctan-2-one
CID 116551525
8-amino-1-cyclopentyloctan-2-one
CID 116551528
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 118720052
2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpyrrolidin-3-yl)methyl]imidazol-4-one
CID 72802568
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
1-[[4-[[2-amino-4-butyl-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(4-but-1-ynylphenyl)urea
CID 143064470

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one?
The IUPAC name of 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one (CID 58425242) is 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one?
The canonical SMILES for 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one is CCCCC1(CCCC)N=C(N)N(CCCCCC(=O)CC2CCCCCC2)C1=O.
What is the InChIKey of 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one?
The InChIKey is IQMGAPOOAZFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O2/c1-3-5-17-25(18-6-4-2)23(30)28(24(26)27-25)19-13-9-12-16-22(29)20-21-14-10-7-8-11-15-21/h21H,3-20H2,1-2H3,(H2,26,27).
What are the key properties of 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one?
2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one has a molecular weight of 419.65 g/mol, XLogP of 5.75, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dibutyl-3-(7-cycloheptyl-6-oxoheptyl)imidazol-4-one is sourced from PubChem (CID 58425242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).