N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine

C12H16N4 — CID 114878874

IUPACN-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cnccc2C)[nH]1
InChIInChI=1S/C12H16N4/c1-3-13-6-10-7-15-12(16-10)11-8-14-5-4-9(11)2/h4-5,7-8,13H,3,6H2,1-2H3,(H,15,16)
InChIKeyGQWVEBVUCWYBRO-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.89
Rot. Bonds4

About N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine

N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 114878874) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID114878874
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cnccc2C)[nH]1
InChIInChI=1S/C12H16N4/c1-3-13-6-10-7-15-12(16-10)11-8-14-5-4-9(11)2/h4-5,7-8,13H,3,6H2,1-2H3,(H,15,16)
InChIKeyGQWVEBVUCWYBRO-UHFFFAOYSA-N
XLogP1.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 114878874) is N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2cnccc2C)[nH]1.
What is the InChIKey of N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is GQWVEBVUCWYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-13-6-10-7-15-12(16-10)11-8-14-5-4-9(11)2/h4-5,7-8,13H,3,6H2,1-2H3,(H,15,16).
What are the key properties of N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114878874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).