N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine

C13H17FN4O — CID 112586586

IUPACN-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2ccc(F)cn2)c(C)[nH]1
InChIInChI=1S/C13H17FN4O/c1-9-13(11-4-3-10(14)7-16-11)18-12(17-9)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKLOBTAPWIICGBF-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.66
Rot. Bonds6

About N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine

N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 112586586) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID112586586
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2ccc(F)cn2)c(C)[nH]1
InChIInChI=1S/C13H17FN4O/c1-9-13(11-4-3-10(14)7-16-11)18-12(17-9)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKLOBTAPWIICGBF-UHFFFAOYSA-N
XLogP1.66
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112586582
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 112585762
1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
CID 60866946
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 63772504
2-methoxy-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine
CID 63772690
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109417
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925
2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
CID 63954276
2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 63954680
2-methoxy-N-[(2-propyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63109492
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62746066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine (CID 112586586) is N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(-c2ccc(F)cn2)c(C)[nH]1.
What is the InChIKey of N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is KLOBTAPWIICGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9-13(11-4-3-10(14)7-16-11)18-12(17-9)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 264.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 112586586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).