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

C14H18FN3O — CID 80579569

IUPAC1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(CN)ccc2F)c1=O
InChIInChI=1S/C14H18FN3O/c1-2-5-17-6-7-18(14(17)19)10-12-8-11(9-16)3-4-13(12)15/h3-4,6-8H,2,5,9-10,16H2,1H3
InChIKeyIVXITCHQTYFUHN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.71
Rot. Bonds5

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

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one (PubChem CID 80579569) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
PubChem CID80579569
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(CN)ccc2F)c1=O
InChIInChI=1S/C14H18FN3O/c1-2-5-17-6-7-18(14(17)19)10-12-8-11(9-16)3-4-13(12)15/h3-4,6-8H,2,5,9-10,16H2,1H3
InChIKeyIVXITCHQTYFUHN-UHFFFAOYSA-N
XLogP1.71
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
3-[[5-(aminomethyl)-2-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 61227116
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-4-ethylpiperazine-2,5-dione
CID 79936353
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
CID 80579438
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279493
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one (CID 80579569) is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cc(CN)ccc2F)c1=O.
What is the InChIKey of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one?
The InChIKey is IVXITCHQTYFUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-5-17-6-7-18(14(17)19)10-12-8-11(9-16)3-4-13(12)15/h3-4,6-8H,2,5,9-10,16H2,1H3.
What are the key properties of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one?
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80579569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).