[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine

C10H12N4 — CID 82468655

IUPAC[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccncc2)cn1
InChIInChI=1S/C10H12N4/c11-5-10-7-14(8-13-10)6-9-1-3-12-4-2-9/h1-4,7-8H,5-6,11H2
InChIKeyQVZLZZWHXVSCBR-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.79
Rot. Bonds3

About [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine

[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine (PubChem CID 82468655) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
PubChem CID82468655
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccncc2)cn1
InChIInChI=1S/C10H12N4/c11-5-10-7-14(8-13-10)6-9-1-3-12-4-2-9/h1-4,7-8H,5-6,11H2
InChIKeyQVZLZZWHXVSCBR-UHFFFAOYSA-N
XLogP0.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
(1-benzylimidazol-4-yl)methanamine
CID 82281097
2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
CID 107500773
[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanamine
CID 106718131
[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718039
2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 79982812
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718140
(1-benzylimidazol-4-yl)methanethiol
CID 144964531
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982797
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 103040930

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine (CID 82468655) is [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine is NCc1cn(Cc2ccncc2)cn1.
What is the InChIKey of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine?
The InChIKey is QVZLZZWHXVSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-5-10-7-14(8-13-10)6-9-1-3-12-4-2-9/h1-4,7-8H,5-6,11H2.
What are the key properties of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine?
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82468655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).