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

C12H11ClFN3O — CID 79959865

IUPAC5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H11ClFN3O/c13-8-4-1-6(5-9(8)14)10-11(15)16-12(18)17(10)7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,18)
InChIKeyAYVSLNRXYTZTJC-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.48
Rot. Bonds2

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

5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one (PubChem CID 79959865) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one
PubChem CID79959865
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H11ClFN3O/c13-8-4-1-6(5-9(8)14)10-11(15)16-12(18)17(10)7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,18)
InChIKeyAYVSLNRXYTZTJC-UHFFFAOYSA-N
XLogP2.48
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.48
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-cyclopropyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one (CID 79959865) is 5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1c1ccc(Cl)c(F)c1.
What is the InChIKey of 5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one?
The InChIKey is AYVSLNRXYTZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-8-4-1-6(5-9(8)14)10-11(15)16-12(18)17(10)7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,18).
What are the key properties of 5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one?
5-amino-4-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4H-imidazol-2-one has a molecular weight of 267.69 g/mol, XLogP of 2.48, 2 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-cyclopropyl-4H-imidazol-2-one is sourced from PubChem (CID 79959865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).