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

C8H11N3 — CID 24729202

IUPAC4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2cnc[nH]2)CCNC1
InChIInChI=1S/C8H11N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1,5-6,9H,2-4H2,(H,10,11)
InChIKeyNYMBHXQAMFVNIG-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.79
Rot. Bonds1

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

4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 24729202) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID24729202
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2cnc[nH]2)CCNC1
InChIInChI=1S/C8H11N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1,5-6,9H,2-4H2,(H,10,11)
InChIKeyNYMBHXQAMFVNIG-UHFFFAOYSA-N
XLogP0.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 24729202) is 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine is C1=C(c2cnc[nH]2)CCNC1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is NYMBHXQAMFVNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1,5-6,9H,2-4H2,(H,10,11).
What are the key properties of 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine?
4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 149.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 24729202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).