1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one

C14H15F2N3O — CID 107522973

IUPAC1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one
SMILESNC(Cn1ccn(C2CC2)c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O/c15-11-4-1-9(7-12(11)16)13(17)8-18-5-6-19(14(18)20)10-2-3-10/h1,4-7,10,13H,2-3,8,17H2
InChIKeyWCHLXCKBEXLIGT-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one

1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one (PubChem CID 107522973) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one
PubChem CID107522973
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one
SMILESNC(Cn1ccn(C2CC2)c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O/c15-11-4-1-9(7-12(11)16)13(17)8-18-5-6-19(14(18)20)10-2-3-10/h1,4-7,10,13H,2-3,8,17H2
InChIKeyWCHLXCKBEXLIGT-UHFFFAOYSA-N
XLogP1.96
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579488
3-[2-amino-2-(3,4-difluorophenyl)ethyl]pyrimidin-4-one
CID 107522672
1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one
CID 116625467
1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521582
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579713
2-[2-amino-2-(3,4-difluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 107522560
2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine
CID 107521958
1-(3,4-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 107520951
1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
CID 107522959
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-cyclopropyl-3-(2-cyclopropyl-2-oxoethyl)imidazol-2-one
CID 80581537
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one (CID 107522973) is 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one is NC(Cn1ccn(C2CC2)c1=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one?
The InChIKey is WCHLXCKBEXLIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-11-4-1-9(7-12(11)16)13(17)8-18-5-6-19(14(18)20)10-2-3-10/h1,4-7,10,13H,2-3,8,17H2.
What are the key properties of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one?
1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one has a molecular weight of 279.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 107522973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).