4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine

C10H15N3 — CID 118303156

IUPAC4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1cnc(C2=CCNCC2)n1C
InChIInChI=1S/C10H15N3/c1-8-7-12-10(13(8)2)9-3-5-11-6-4-9/h3,7,11H,4-6H2,1-2H3
InChIKeyIDRXEXPQXRSFTJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.11
Rot. Bonds1

About 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine

4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 118303156) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID118303156
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1cnc(C2=CCNCC2)n1C
InChIInChI=1S/C10H15N3/c1-8-7-12-10(13(8)2)9-3-5-11-6-4-9/h3,7,11H,4-6H2,1-2H3
InChIKeyIDRXEXPQXRSFTJ-UHFFFAOYSA-N
XLogP1.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine (CID 118303156) is 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine is Cc1cnc(C2=CCNCC2)n1C.
What is the InChIKey of 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IDRXEXPQXRSFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8-7-12-10(13(8)2)9-3-5-11-6-4-9/h3,7,11H,4-6H2,1-2H3.
What are the key properties of 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine?
4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 177.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylimidazol-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 118303156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).