1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone

C15H18FN3O — CID 133376158

IUPAC1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)CCCn1ccnc1
InChIInChI=1S/C15H18FN3O/c1-12(20)15-13(16)5-3-6-14(15)18(2)8-4-9-19-10-7-17-11-19/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyZTTJYXIJYANQLE-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.75
Rot. Bonds6

About 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone

1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone (PubChem CID 133376158) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
PubChem CID133376158
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)CCCn1ccnc1
InChIInChI=1S/C15H18FN3O/c1-12(20)15-13(16)5-3-6-14(15)18(2)8-4-9-19-10-7-17-11-19/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyZTTJYXIJYANQLE-UHFFFAOYSA-N
XLogP2.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376570
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-fluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-4-nitroaniline
CID 133376629
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
CID 133494736
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 75483099
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
1-[2-fluoro-6-[[(2S)-3-imidazol-1-yl-2-methylpropyl]amino]phenyl]ethanone
CID 97119048
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone (CID 133376158) is 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone is CC(=O)c1c(F)cccc1N(C)CCCn1ccnc1.
What is the InChIKey of 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone?
The InChIKey is ZTTJYXIJYANQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-12(20)15-13(16)5-3-6-14(15)18(2)8-4-9-19-10-7-17-11-19/h3,5-7,10-11H,4,8-9H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone?
1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone has a molecular weight of 275.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 133376158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).