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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579713
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579488
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 107113924
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
CID 80579438
1-[(3-amino-2-fluorophenyl)methyl]-3-cyclopropylimidazol-2-one
CID 107347737
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579836
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]pyridin-4-one
CID 64763549
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one
CID 80579970
N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 80579564
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione
CID 64765198

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).