2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine

C11H14N4 — CID 107587222

IUPAC2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
SMILESCc1cncc(-n2cncc2CCN)c1
InChIInChI=1S/C11H14N4/c1-9-4-11(7-13-5-9)15-8-14-6-10(15)2-3-12/h4-8H,2-3,12H2,1H3
InChIKeyPWUURARYLCHRCN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.08
Rot. Bonds3

About 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine

2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine (PubChem CID 107587222) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
PubChem CID107587222
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
SMILESCc1cncc(-n2cncc2CCN)c1
InChIInChI=1S/C11H14N4/c1-9-4-11(7-13-5-9)15-8-14-6-10(15)2-3-12/h4-8H,2-3,12H2,1H3
InChIKeyPWUURARYLCHRCN-UHFFFAOYSA-N
XLogP1.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine (CID 107587222) is 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine is Cc1cncc(-n2cncc2CCN)c1.
What is the InChIKey of 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine?
The InChIKey is PWUURARYLCHRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-11(7-13-5-9)15-8-14-6-10(15)2-3-12/h4-8H,2-3,12H2,1H3.
What are the key properties of 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine?
2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 107587222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).