2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one

C13H12F3N3O — CID 82999123

IUPAC2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-4-2-1-3-8(9)10-11(20)19-12(18-10)17-7-5-6-7/h1-4,7,10H,5-6H2,(H2,17,18,19,20)
InChIKeyUOVBARRRJLCTHY-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.98
Rot. Bonds2

About 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one

2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one (PubChem CID 82999123) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one
PubChem CID82999123
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-4-2-1-3-8(9)10-11(20)19-12(18-10)17-7-5-6-7/h1-4,7,10H,5-6H2,(H2,17,18,19,20)
InChIKeyUOVBARRRJLCTHY-UHFFFAOYSA-N
XLogP1.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)propanamide
CID 44371901
(4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one
CID 15054180
(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one
CID 15054181
2-Amino-4-phenyl-4,5-dihydro-1h-imidazol-5-one
CID 45120950
N-(N'-methylcarbamimidoyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 20265117
N-(N'-propylcarbamimidoyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 20265136
N-(N'-propan-2-ylcarbamimidoyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 20265169
N-(N'-prop-2-enylcarbamimidoyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 20265182
N-(N'-prop-2-enylcarbamimidoyl)-2-[2-(trifluoromethyl)phenyl]propanamide
CID 20265205
N-[N'-(2-methylpropyl)carbamimidoyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 20265213
N-(N'-propan-2-ylcarbamimidoyl)-2-[2-(trifluoromethyl)phenyl]propanamide
CID 20265221
N-(N'-ethylcarbamimidoyl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 20265230

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one (CID 82999123) is 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The InChIKey is UOVBARRRJLCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-4-2-1-3-8(9)10-11(20)19-12(18-10)17-7-5-6-7/h1-4,7,10H,5-6H2,(H2,17,18,19,20).
What are the key properties of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one has a molecular weight of 283.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82999123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).