1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine

C17H17FN4 — CID 51086195

IUPAC1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc(F)cc2)cn1
InChIInChI=1S/C17H17FN4/c1-13-20-8-9-22(13)17-7-4-15(12-21-17)11-19-10-14-2-5-16(18)6-3-14/h2-9,12,19H,10-11H2,1H3
InChIKeyLCPDWFGMOMULBD-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine

1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine (PubChem CID 51086195) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
PubChem CID51086195
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc(F)cc2)cn1
InChIInChI=1S/C17H17FN4/c1-13-20-8-9-22(13)17-7-4-15(12-21-17)11-19-10-14-2-5-16(18)6-3-14/h2-9,12,19H,10-11H2,1H3
InChIKeyLCPDWFGMOMULBD-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086201
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
N-[(2-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203
N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 47052690
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111677770
N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 52516388
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 119121927
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111853768
2-methyl-1-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111421042
N-ethyl-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748706
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136716924

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine (CID 51086195) is 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine is Cc1nccn1-c1ccc(CNCc2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
The InChIKey is LCPDWFGMOMULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-13-20-8-9-22(13)17-7-4-15(12-21-17)11-19-10-14-2-5-16(18)6-3-14/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine has a molecular weight of 296.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 51086195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).