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

C11H13FN4 — CID 112585736

IUPAC2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCc1[nH]c(CCN)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H13FN4/c1-7-11(16-10(15-7)4-5-13)9-3-2-8(12)6-14-9/h2-3,6H,4-5,13H2,1H3,(H,15,16)
InChIKeyVUHRBXVICGLCBG-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.42
Rot. Bonds3

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

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine (PubChem CID 112585736) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
PubChem CID112585736
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCc1[nH]c(CCN)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H13FN4/c1-7-11(16-10(15-7)4-5-13)9-3-2-8(12)6-14-9/h2-3,6H,4-5,13H2,1H3,(H,15,16)
InChIKeyVUHRBXVICGLCBG-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine (CID 112585736) is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine is Cc1[nH]c(CCN)nc1-c1ccc(F)cn1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The InChIKey is VUHRBXVICGLCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7-11(16-10(15-7)4-5-13)9-3-2-8(12)6-14-9/h2-3,6H,4-5,13H2,1H3,(H,15,16).
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 112585736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).