5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one

C12H13ClFN3O — CID 79960082

IUPAC5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3O/c1-2-6-17-10(11(15)16-12(17)18)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18)
InChIKeyPOTNSNRNVJLKBL-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.72
Rot. Bonds3

About 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one

5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960082) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79960082
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3O/c1-2-6-17-10(11(15)16-12(17)18)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18)
InChIKeyPOTNSNRNVJLKBL-UHFFFAOYSA-N
XLogP2.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Chlorophenyl)-1-methyl-4,5-dihydro-1H-imidazol-2-ol
CID 57452
1-[(2-Chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea
CID 2804469
1-[1-(2-Chloro-6-fluorophenyl)ethyl]-3-methylurea
CID 71924948
1-[(2-Chloro-4-fluorophenyl)methyl]imidazolidin-2-one
CID 5084028
1-[(2-Chloro-4-fluorophenyl)methyl]-1-methylurea
CID 126770293
N-[1-(2-chloro-6-fluorophenyl)ethyl]-N'-cyano-N-methylpropanimidamide
CID 10264989
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-[(4-Chloro-3-fluorophenyl)methyl]-1-[2-(propan-2-ylamino)ethyl]urea
CID 68034436
2-[6-amino-4-[(2,6-dichloro-3-fluorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride
CID 123507729
2-[6-amino-4-[(2-chloro-3,6-difluorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride
CID 123622893
2-(4-Chloro-3-fluorophenyl)-5-iminopyrrolidine-1-carboxamide
CID 170592998

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one (CID 79960082) is 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1c(F)cccc1Cl.
What is the InChIKey of 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is POTNSNRNVJLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-2-6-17-10(11(15)16-12(17)18)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 269.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-chloro-6-fluorophenyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).