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

C17H17FN4 — CID 51086201

IUPACN-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccccc2F)cn1
InChIInChI=1S/C17H17FN4/c1-13-20-8-9-22(13)17-7-6-14(11-21-17)10-19-12-15-4-2-3-5-16(15)18/h2-9,11,19H,10,12H2,1H3
InChIKeyWGGWQHVJLYCDHL-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.00
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 51086201) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
PubChem CID51086201
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccccc2F)cn1
InChIInChI=1S/C17H17FN4/c1-13-20-8-9-22(13)17-7-6-14(11-21-17)10-19-12-15-4-2-3-5-16(15)18/h2-9,11,19H,10,12H2,1H3
InChIKeyWGGWQHVJLYCDHL-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-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 47052690
1-ethyl-3-[(2-fluorophenyl)methyl]-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111266778
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111363020
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 97230370
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111853768
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine (CID 51086201) is N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine is Cc1nccn1-c1ccc(CNCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is WGGWQHVJLYCDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-13-20-8-9-22(13)17-7-6-14(11-21-17)10-19-12-15-4-2-3-5-16(15)18/h2-9,11,19H,10,12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]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 N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 51086201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).