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

C12H11ClFN3O — CID 82999210

IUPAC4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H11ClFN3O/c13-8-4-1-6(5-9(8)14)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyPUZVMPNZRQAJAF-UHFFFAOYSA-N
MW267.69 g/mol
LogP1.76
Rot. Bonds2

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

4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82999210) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
PubChem CID82999210
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H11ClFN3O/c13-8-4-1-6(5-9(8)14)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyPUZVMPNZRQAJAF-UHFFFAOYSA-N
XLogP1.76
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (CID 82999210) is 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is PUZVMPNZRQAJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-8-4-1-6(5-9(8)14)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18).
What are the key properties of 4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
4-(4-chloro-3-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 267.69 g/mol, XLogP of 1.76, 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-(cyclopropylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82999210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).