3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine

C12H11N5 — CID 139050431

IUPAC3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine
SMILESc1cncc(Cn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/C12H11N5/c1-2-10(8-13-3-1)9-17-7-6-16-12(17)11-14-4-5-15-11/h1-8H,9H2,(H,14,15)
InChIKeyHAVBJPVMMDXSHY-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.72
Rot. Bonds3

About 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine

3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine (PubChem CID 139050431) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine
PubChem CID139050431
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine
SMILESc1cncc(Cn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/C12H11N5/c1-2-10(8-13-3-1)9-17-7-6-16-12(17)11-14-4-5-15-11/h1-8H,9H2,(H,14,15)
InChIKeyHAVBJPVMMDXSHY-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 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine (CID 139050431) is 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine is c1cncc(Cn2ccnc2-c2ncc[nH]2)c1.
What is the InChIKey of 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
The InChIKey is HAVBJPVMMDXSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-2-10(8-13-3-1)9-17-7-6-16-12(17)11-14-4-5-15-11/h1-8H,9H2,(H,14,15).
What are the key properties of 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine?
3-[[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 3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 139050431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).