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

C10H9ClFN3O — CID 79959929

IUPAC5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFN3O/c1-15-8(9(13)14-10(15)16)5-2-3-6(11)7(12)4-5/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyWXXBWXXJTHLRCN-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.94
Rot. Bonds1

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

5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79959929) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one
PubChem CID79959929
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFN3O/c1-15-8(9(13)14-10(15)16)5-2-3-6(11)7(12)4-5/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyWXXBWXXJTHLRCN-UHFFFAOYSA-N
XLogP1.94
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one (CID 79959929) is 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one is CN1C(=O)N=C(N)C1c1ccc(Cl)c(F)c1.
What is the InChIKey of 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is WXXBWXXJTHLRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-8(9(13)14-10(15)16)5-2-3-6(11)7(12)4-5/h2-4,8H,1H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 241.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79959929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).