2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine

C12H16N4 — CID 112651288

IUPAC2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
SMILESCc1cccnc1Cn1ccnc1CCN
InChIInChI=1S/C12H16N4/c1-10-3-2-6-14-11(10)9-16-8-7-15-12(16)4-5-13/h2-3,6-8H,4-5,9,13H2,1H3
InChIKeyHDSKQFNGPMLJHL-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine

2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine (PubChem CID 112651288) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
PubChem CID112651288
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
SMILESCc1cccnc1Cn1ccnc1CCN
InChIInChI=1S/C12H16N4/c1-10-3-2-6-14-11(10)9-16-8-7-15-12(16)4-5-13/h2-3,6-8H,4-5,9,13H2,1H3
InChIKeyHDSKQFNGPMLJHL-UHFFFAOYSA-N
XLogP1.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine
CID 82474178
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 62408867
[3-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 66150154
[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine
CID 112651068
N-cyclohexyl-1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106572805
2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 114198391
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 112651076
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
CID 107052795
2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
CID 80694657
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine (CID 112651288) is 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine is Cc1cccnc1Cn1ccnc1CCN.
What is the InChIKey of 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine?
The InChIKey is HDSKQFNGPMLJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-3-2-6-14-11(10)9-16-8-7-15-12(16)4-5-13/h2-3,6-8H,4-5,9,13H2,1H3.
What are the key properties of 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine?
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine is sourced from PubChem (CID 112651288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).