4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one

C13H15ClFN3O — CID 79959464

IUPAC4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3O/c1-3-6-18-12(19)17-11(16)13(18,2)9-5-4-8(15)7-10(9)14/h4-5,7H,3,6H2,1-2H3,(H2,16,17,19)
InChIKeyTVQPCJVMLVRHLI-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.90
Rot. Bonds3

About 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one

4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one (PubChem CID 79959464) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one
PubChem CID79959464
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3O/c1-3-6-18-12(19)17-11(16)13(18,2)9-5-4-8(15)7-10(9)14/h4-5,7H,3,6H2,1-2H3,(H2,16,17,19)
InChIKeyTVQPCJVMLVRHLI-UHFFFAOYSA-N
XLogP2.90
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Chloro-4-fluorophenyl)methyl]-1-methylurea
CID 126770293
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide
CID 18735297
4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 18735298
1-Benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one
CID 68905448
5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
CID 79496769
5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79496902
5-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
CID 79497052
5-(2-Chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79497236
5-(3-chloro-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79497244
5-(3-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
CID 79497445
5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497464
5-(2-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
CID 79497501

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one?
The IUPAC name of 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one (CID 79959464) is 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one.
What is the SMILES notation for 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one?
The canonical SMILES for 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one is CCCN1C(=O)N=C(N)C1(C)c1ccc(F)cc1Cl.
What is the InChIKey of 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one?
The InChIKey is TVQPCJVMLVRHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-3-6-18-12(19)17-11(16)13(18,2)9-5-4-8(15)7-10(9)14/h4-5,7H,3,6H2,1-2H3,(H2,16,17,19).
What are the key properties of 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one?
4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one has a molecular weight of 283.73 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chloro-4-fluorophenyl)-5-methyl-1-propylimidazol-2-one is sourced from PubChem (CID 79959464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).