2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one

C21H31N3O2 — CID 58425166

IUPAC2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one
SMILESCCCCC(=O)Cc1cccc(CN2C(=O)C(C)(CC(C)C)N=C2N)c1
InChIInChI=1S/C21H31N3O2/c1-5-6-10-18(25)12-16-8-7-9-17(11-16)14-24-19(26)21(4,13-15(2)3)23-20(24)22/h7-9,11,15H,5-6,10,12-14H2,1-4H3,(H2,22,23)
InChIKeyZJGFVXKOGDFCJY-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.45
Rot. Bonds9

About 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one

2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one (PubChem CID 58425166) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one
PubChem CID58425166
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one
SMILESCCCCC(=O)Cc1cccc(CN2C(=O)C(C)(CC(C)C)N=C2N)c1
InChIInChI=1S/C21H31N3O2/c1-5-6-10-18(25)12-16-8-7-9-17(11-16)14-24-19(26)21(4,13-15(2)3)23-20(24)22/h7-9,11,15H,5-6,10,12-14H2,1-4H3,(H2,22,23)
InChIKeyZJGFVXKOGDFCJY-UHFFFAOYSA-N
XLogP3.45
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methyl-5-(2-methylpropyl)-3-[[4-(2-oxo-4-phenylbutyl)phenyl]methyl]imidazol-4-one
CID 58425126
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-[2-(4-pentylphenyl)sulfonylethyl]phenyl]methyl]imidazol-4-one
CID 70118336
2-amino-3-[[4-[4-(2,3-dichlorophenyl)-3-oxobutyl]-3-fluorophenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 58425323
N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 118017131
3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide
CID 58425093
2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one
CID 58425289
N-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]propane-1-sulfonohydrazide
CID 118911465
2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 162544157
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea
CID 70141504
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea
CID 163620731
2-amino-5-butyl-3-[[4-(3-oxooctyl)phenyl]methyl]-5-propan-2-ylimidazol-4-one
CID 58425116
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea
CID 163863509

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one (CID 58425166) is 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one is CCCCC(=O)Cc1cccc(CN2C(=O)C(C)(CC(C)C)N=C2N)c1.
What is the InChIKey of 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one?
The InChIKey is ZJGFVXKOGDFCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-5-6-10-18(25)12-16-8-7-9-17(11-16)14-24-19(26)21(4,13-15(2)3)23-20(24)22/h7-9,11,15H,5-6,10,12-14H2,1-4H3,(H2,22,23).
What are the key properties of 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one?
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one has a molecular weight of 357.50 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one is sourced from PubChem (CID 58425166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).