2-[bis(1H-imidazol-2-yl)methyl]pyridine

C12H11N5 — CID 121008587

IUPAC2-[bis(1H-imidazol-2-yl)methyl]pyridine
SMILESc1ccc(C(c2ncc[nH]2)c2ncc[nH]2)nc1
InChIInChI=1S/C12H11N5/c1-2-4-13-9(3-1)10(11-14-5-6-15-11)12-16-7-8-17-12/h1-8,10H,(H,14,15)(H,16,17)
InChIKeyJAHAGGWMKMRRJS-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.71
Rot. Bonds3

About 2-[bis(1H-imidazol-2-yl)methyl]pyridine

2-[bis(1H-imidazol-2-yl)methyl]pyridine (PubChem CID 121008587) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[bis(1H-imidazol-2-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[bis(1H-imidazol-2-yl)methyl]pyridine
PubChem CID121008587
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name2-[bis(1H-imidazol-2-yl)methyl]pyridine
SMILESc1ccc(C(c2ncc[nH]2)c2ncc[nH]2)nc1
InChIInChI=1S/C12H11N5/c1-2-4-13-9(3-1)10(11-14-5-6-15-11)12-16-7-8-17-12/h1-8,10H,(H,14,15)(H,16,17)
InChIKeyJAHAGGWMKMRRJS-UHFFFAOYSA-N
XLogP1.71
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[bis(1H-imidazol-2-yl)methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-imidazol-2-yl(pyridin-2-yl)methanol
CID 75511261
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
1-(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91513422
[1H-imidazol-2-yl(phenyl)methyl]hydrazine
CID 105251994
2-(1-chloro-2-phenylethyl)-1H-imidazole
CID 23043572
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
furan-2-yl(1H-imidazol-2-yl)methanol
CID 75356487
2-(2-ethoxy-1-phenylethyl)-1H-imidazole
CID 57296965
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1H-imidazol-2-yl)methyl]pyridine?
The IUPAC name of 2-[bis(1H-imidazol-2-yl)methyl]pyridine (CID 121008587) is 2-[bis(1H-imidazol-2-yl)methyl]pyridine.
What is the SMILES notation for 2-[bis(1H-imidazol-2-yl)methyl]pyridine?
The canonical SMILES for 2-[bis(1H-imidazol-2-yl)methyl]pyridine is c1ccc(C(c2ncc[nH]2)c2ncc[nH]2)nc1.
What is the InChIKey of 2-[bis(1H-imidazol-2-yl)methyl]pyridine?
The InChIKey is JAHAGGWMKMRRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-2-4-13-9(3-1)10(11-14-5-6-15-11)12-16-7-8-17-12/h1-8,10H,(H,14,15)(H,16,17).
What are the key properties of 2-[bis(1H-imidazol-2-yl)methyl]pyridine?
2-[bis(1H-imidazol-2-yl)methyl]pyridine has a molecular weight of 225.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1H-imidazol-2-yl)methyl]pyridine is sourced from PubChem (CID 121008587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).