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

C12H11ClFN3O — CID 82998964

IUPAC4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O/c13-8-5-6(1-4-9(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)
InChIKeyPHVDMSCBJWZLLZ-UHFFFAOYSA-N
MW267.69 g/mol
LogP1.76
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82998964) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
PubChem CID82998964
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O/c13-8-5-6(1-4-9(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)
InChIKeyPHVDMSCBJWZLLZ-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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Related Compounds

2-(3-chlorophenyl)-N-(1-methyl-4-oxoimidazolidin-2-ylidene)acetamide
CID 136106115
N-[N'-cyclopentyl-N-[1,3-diamino-3-(3-chloro-5-fluorophenyl)propyl]carbamimidoyl]-3,4-difluorobenzamide
CID 118376171
2-[(2-Chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one
CID 141138584
2-Amino-4-[3-(3-chlorophenyl)-4-fluorophenyl]-1,4-dihydroimidazol-5-one
CID 141178291
[5-(4-Chlorophenyl)-4-oxoimidazolidin-2-ylidene]cyanamide
CID 156598366
5-(3-Chloro-4-fluorophenyl)imidazolidine-2,4-dione
CID 12921728
4-(2-Chloro-6-fluorophenyl)-2-ethoxy-1,4-dihydroimidazol-5-one
CID 13521774
2-(3-Chloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 81144665
2-(3-Chloro-4-fluorophenyl)-2-(methylamino)acetamide
CID 81144781
2-(3-Chloro-4-fluorophenyl)-2-(propylamino)acetamide
CID 81144918
2-(3-Chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 81145056
2-(3-Chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 81145151

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (CID 82998964) is 4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is PHVDMSCBJWZLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-8-5-6(1-4-9(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-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
4-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).