4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one

C12H13ClFN3O — CID 82999352

IUPAC4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
SMILESCC(C)NC1=NC(c2ccc(Cl)c(F)c2)C(=O)N1
InChIInChI=1S/C12H13ClFN3O/c1-6(2)15-12-16-10(11(18)17-12)7-3-4-8(13)9(14)5-7/h3-6,10H,1-2H3,(H2,15,16,17,18)
InChIKeyJZGSNZOBOUGSDE-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.00
Rot. Bonds2

About 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one

4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82999352) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
PubChem CID82999352
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
SMILESCC(C)NC1=NC(c2ccc(Cl)c(F)c2)C(=O)N1
InChIInChI=1S/C12H13ClFN3O/c1-6(2)15-12-16-10(11(18)17-12)7-3-4-8(13)9(14)5-7/h3-6,10H,1-2H3,(H2,15,16,17,18)
InChIKeyJZGSNZOBOUGSDE-UHFFFAOYSA-N
XLogP2.00
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 45488115
4-Chloro-alpha-(methylamino)benzeneacetamide
CID 12496934
(2R)-2-[[amino-[[2-(4-chlorophenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 90285848
CID 172445357
CID 172445357
2-(4-chlorophenyl)-N-methyl-2-(methylamino)acetamide
CID 16227606
4-chloro-N-[N-cyclohexyl-N'-(2,2-dimethylpropyl)carbamimidoyl]-3-fluorobenzamide
CID 67967003
N-[N'-cyclopentyl-N-[1,3-diamino-3-(4-chlorophenyl)propyl]carbamimidoyl]-3,4-difluorobenzamide
CID 118376153
N-[N-[1,3-diamino-3-(4-chlorophenyl)-2-fluoropropyl]-N'-(2-methylpropyl)carbamimidoyl]-3,4-difluorobenzamide
CID 118376186
4-chloro-N-[N-[1,3-diamino-3-(3,5-difluorophenyl)propyl]-N'-(2-methylbutyl)carbamimidoyl]-3-fluorobenzamide
CID 118376216
4-chloro-N-[N'-cyclopentyl-N-[1,3-diamino-3-(3,5-difluorophenyl)propyl]carbamimidoyl]-3-fluorobenzamide
CID 118376220
N-[N'-butyl-N-[1,3-diamino-3-(3,5-difluorophenyl)propyl]carbamimidoyl]-4-chloro-3-fluorobenzamide
CID 118376225
N-[N'-cyclopentyl-N-[1,3-diamino-3-(4-chlorophenyl)propyl]carbamimidoyl]-3-fluorobenzamide
CID 118376228

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one (CID 82999352) is 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one is CC(C)NC1=NC(c2ccc(Cl)c(F)c2)C(=O)N1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is JZGSNZOBOUGSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-6(2)15-12-16-10(11(18)17-12)7-3-4-8(13)9(14)5-7/h3-6,10H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 269.71 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82999352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).