4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one

C13H13ClFN3O — CID 79959858

IUPAC4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one
SMILESCC1(c2ccc(F)cc2Cl)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C13H13ClFN3O/c1-13(9-5-2-7(15)6-10(9)14)11(16)17-12(19)18(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,16,17,19)
InChIKeyBWOLYRHZILKSGP-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.65
Rot. Bonds2

About 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one

4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one (PubChem CID 79959858) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one
PubChem CID79959858
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one
SMILESCC1(c2ccc(F)cc2Cl)C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C13H13ClFN3O/c1-13(9-5-2-7(15)6-10(9)14)11(16)17-12(19)18(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,16,17,19)
InChIKeyBWOLYRHZILKSGP-UHFFFAOYSA-N
XLogP2.65
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one?
The IUPAC name of 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one (CID 79959858) is 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one.
What is the SMILES notation for 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one?
The canonical SMILES for 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one is CC1(c2ccc(F)cc2Cl)C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one?
The InChIKey is BWOLYRHZILKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-13(9-5-2-7(15)6-10(9)14)11(16)17-12(19)18(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,16,17,19).
What are the key properties of 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one?
4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one has a molecular weight of 281.72 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methylimidazol-2-one is sourced from PubChem (CID 79959858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).