4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine

C12H11N5 — CID 139050429

IUPAC4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine
SMILESc1cc(Cn2ccnc2-c2ncc[nH]2)ccn1
InChIInChI=1S/C12H11N5/c1-3-13-4-2-10(1)9-17-8-7-16-12(17)11-14-5-6-15-11/h1-8H,9H2,(H,14,15)
InChIKeyMWWMCLNLLOFOCG-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.72
Rot. Bonds3

About 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine

4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine (PubChem CID 139050429) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine
PubChem CID139050429
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine
SMILESc1cc(Cn2ccnc2-c2ncc[nH]2)ccn1
InChIInChI=1S/C12H11N5/c1-3-13-4-2-10(1)9-17-8-7-16-12(17)11-14-5-6-15-11/h1-8H,9H2,(H,14,15)
InChIKeyMWWMCLNLLOFOCG-UHFFFAOYSA-N
XLogP1.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine (CID 139050429) is 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine is c1cc(Cn2ccnc2-c2ncc[nH]2)ccn1.
What is the InChIKey of 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
The InChIKey is MWWMCLNLLOFOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-3-13-4-2-10(1)9-17-8-7-16-12(17)11-14-5-6-15-11/h1-8H,9H2,(H,14,15).
What are the key properties of 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine has a molecular weight of 225.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 139050429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).