2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine

C8H11N3 — CID 129304100

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine
SMILESC1=CNC(C2=NCCN2)C=C1
InChIInChI=1S/C8H11N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-4,7,9H,5-6H2,(H,10,11)
InChIKeyQAQPHDVUDXDFRR-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.03
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine

2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine (PubChem CID 129304100) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine
PubChem CID129304100
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine
SMILESC1=CNC(C2=NCCN2)C=C1
InChIInChI=1S/C8H11N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-4,7,9H,5-6H2,(H,10,11)
InChIKeyQAQPHDVUDXDFRR-UHFFFAOYSA-N
XLogP0.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine (CID 129304100) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine is C1=CNC(C2=NCCN2)C=C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine?
The InChIKey is QAQPHDVUDXDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-4,7,9H,5-6H2,(H,10,11).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine?
2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine has a molecular weight of 149.20 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 129304100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).