4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one

C12H12ClN3O — CID 82998694

IUPAC4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-9-4-2-1-3-8(9)10-11(17)16-12(15-10)14-7-5-6-7/h1-4,7,10H,5-6H2,(H2,14,15,16,17)
InChIKeyBDVFZIZFUSOINP-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.62
Rot. Bonds2

About 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one

4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82998694) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
PubChem CID82998694
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-9-4-2-1-3-8(9)10-11(17)16-12(15-10)14-7-5-6-7/h1-4,7,10H,5-6H2,(H2,14,15,16,17)
InChIKeyBDVFZIZFUSOINP-UHFFFAOYSA-N
XLogP1.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (CID 82998694) is 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is BDVFZIZFUSOINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-4-2-1-3-8(9)10-11(17)16-12(15-10)14-7-5-6-7/h1-4,7,10H,5-6H2,(H2,14,15,16,17).
What are the key properties of 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 249.70 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).