2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one

C23H26ClN3O2 — CID 58425289

IUPAC2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one
SMILESCC1(CCC(=O)CCCc2ccccc2)N=C(N)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C23H26ClN3O2/c1-23(14-13-20(28)12-6-9-17-7-3-2-4-8-17)21(29)27(22(25)26-23)16-18-10-5-11-19(24)15-18/h2-5,7-8,10-11,15H,6,9,12-14,16H2,1H3,(H2,25,26)
InChIKeyBHLOTQDKEHKWIY-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.13
Rot. Bonds9

About 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one

2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one (PubChem CID 58425289) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one
PubChem CID58425289
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one
SMILESCC1(CCC(=O)CCCc2ccccc2)N=C(N)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C23H26ClN3O2/c1-23(14-13-20(28)12-6-9-17-7-3-2-4-8-17)21(29)27(22(25)26-23)16-18-10-5-11-19(24)15-18/h2-5,7-8,10-11,15H,6,9,12-14,16H2,1H3,(H2,25,26)
InChIKeyBHLOTQDKEHKWIY-UHFFFAOYSA-N
XLogP4.13
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one
CID 58425050
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-oxohexyl)phenyl]methyl]imidazol-4-one
CID 58425166
6-(3-chlorophenyl)hexan-3-one
CID 64520537
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-5-butyl-3-[[4-(3-oxooctyl)phenyl]methyl]-5-propan-2-ylimidazol-4-one
CID 58425116
3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide
CID 59386902
CID 145460572
CID 145460572
2'-amino-3'-[[4-(3-oxooctyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazole]-4'-one
CID 58425145
2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one
CID 44530186

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one?
The IUPAC name of 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one (CID 58425289) is 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one is CC1(CCC(=O)CCCc2ccccc2)N=C(N)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one?
The InChIKey is BHLOTQDKEHKWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-23(14-13-20(28)12-6-9-17-7-3-2-4-8-17)21(29)27(22(25)26-23)16-18-10-5-11-19(24)15-18/h2-5,7-8,10-11,15H,6,9,12-14,16H2,1H3,(H2,25,26).
What are the key properties of 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one?
2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one has a molecular weight of 411.93 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one is sourced from PubChem (CID 58425289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).