1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone

C17H15FN4O — CID 51075157

IUPAC1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H15FN4O/c1-12(23)17-14(18)3-2-4-15(17)20-9-13-5-6-16(21-10-13)22-8-7-19-11-22/h2-8,10-11,20H,9H2,1H3
InChIKeyIOKFBJKONIFANC-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.22
Rot. Bonds5

About 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone

1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone (PubChem CID 51075157) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone
PubChem CID51075157
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H15FN4O/c1-12(23)17-14(18)3-2-4-15(17)20-9-13-5-6-16(21-10-13)22-8-7-19-11-22/h2-8,10-11,20H,9H2,1H3
InChIKeyIOKFBJKONIFANC-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
1-[2-fluoro-6-[[(2S)-3-imidazol-1-yl-2-methylpropyl]amino]phenyl]ethanone
CID 97119048
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylbutan-2-yl)urea
CID 56783628
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 31537374
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 71871472
(E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 38772487
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone (CID 51075157) is 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone is CC(=O)c1c(F)cccc1NCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone?
The InChIKey is IOKFBJKONIFANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-12(23)17-14(18)3-2-4-15(17)20-9-13-5-6-16(21-10-13)22-8-7-19-11-22/h2-8,10-11,20H,9H2,1H3.
What are the key properties of 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone?
1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone has a molecular weight of 310.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 51075157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).