N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline

C16H15FN4 — CID 97337942

IUPACN-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
SMILESC[C@H](Nc1ccc(-n2ccnc2)cc1)c1cncc(F)c1
InChIInChI=1S/C16H15FN4/c1-12(13-8-14(17)10-19-9-13)20-15-2-4-16(5-3-15)21-7-6-18-11-21/h2-12,20H,1H3/t12-/m0/s1
InChIKeyXTZIDRMYYNNJBP-LBPRGKRZSA-N
MW282.32 g/mol
LogP3.58
Rot. Bonds4

About N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline

N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline (PubChem CID 97337942) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
PubChem CID97337942
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
SMILESC[C@H](Nc1ccc(-n2ccnc2)cc1)c1cncc(F)c1
InChIInChI=1S/C16H15FN4/c1-12(13-8-14(17)10-19-9-13)20-15-2-4-16(5-3-15)21-7-6-18-11-21/h2-12,20H,1H3/t12-/m0/s1
InChIKeyXTZIDRMYYNNJBP-LBPRGKRZSA-N
XLogP3.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
CID 103932307
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 97116929
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
CID 43539832
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methylpyrazol-3-amine
CID 115729387
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[2-fluoro-5-[1-(5-fluoro-3-pyridinyl)ethylamino]phenyl]acetamide
CID 103935526
3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide
CID 86960699

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline?
The IUPAC name of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline (CID 97337942) is N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline?
The canonical SMILES for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline is C[C@H](Nc1ccc(-n2ccnc2)cc1)c1cncc(F)c1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline?
The InChIKey is XTZIDRMYYNNJBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15FN4/c1-12(13-8-14(17)10-19-9-13)20-15-2-4-16(5-3-15)21-7-6-18-11-21/h2-12,20H,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline?
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline has a molecular weight of 282.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline is sourced from PubChem (CID 97337942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).