1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one

C14H16FN3O — CID 80579365

IUPAC1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCc1ccc(F)cc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H16FN3O/c15-12-2-1-10(8-16)11(7-12)9-17-5-6-18(14(17)19)13-3-4-13/h1-2,5-7,13H,3-4,8-9,16H2
InChIKeyQDFLCDQLKDWIQG-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.63
Rot. Bonds4

About 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one

1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one (PubChem CID 80579365) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
PubChem CID80579365
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCc1ccc(F)cc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H16FN3O/c15-12-2-1-10(8-16)11(7-12)9-17-5-6-18(14(17)19)13-3-4-13/h1-2,5-7,13H,3-4,8-9,16H2
InChIKeyQDFLCDQLKDWIQG-UHFFFAOYSA-N
XLogP1.63
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one (CID 80579365) is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one is NCc1ccc(F)cc1Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one?
The InChIKey is QDFLCDQLKDWIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-2-1-10(8-16)11(7-12)9-17-5-6-18(14(17)19)13-3-4-13/h1-2,5-7,13H,3-4,8-9,16H2.
What are the key properties of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one?
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one has a molecular weight of 261.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).