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

C12H16N4 — CID 63840568

IUPACN-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cc(C)ccn2)[nH]1
InChIInChI=1S/C12H16N4/c1-3-13-7-10-8-15-12(16-10)11-6-9(2)4-5-14-11/h4-6,8,13H,3,7H2,1-2H3,(H,15,16)
InChIKeyOENWSLZJESTGIN-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.89
Rot. Bonds4

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

N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 63840568) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID63840568
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cc(C)ccn2)[nH]1
InChIInChI=1S/C12H16N4/c1-3-13-7-10-8-15-12(16-10)11-6-9(2)4-5-14-11/h4-6,8,13H,3,7H2,1-2H3,(H,15,16)
InChIKeyOENWSLZJESTGIN-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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Related Compounds

CID 69591
CID 69591
CID 71263
CID 71263
CID 69590
CID 69590
CID 9222
CID 9222
CID 247635
CID 247635
CID 5310982
CID 5310982
CID 3040177
CID 3040177
CID 5359646
CID 5359646
CID 9989505
CID 9989505
CID 70821
CID 70821
CID 594090
CID 594090
CID 657876
CID 657876

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 63840568) is N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2cc(C)ccn2)[nH]1.
What is the InChIKey of N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is OENWSLZJESTGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-13-7-10-8-15-12(16-10)11-6-9(2)4-5-14-11/h4-6,8,13H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-(4-methyl-2-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-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63840568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).