2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride

C12H12ClN3 — CID 11957470

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride
SMILESCl.c1ccc2nc(C3=NCCN3)ccc2c1
InChIInChI=1S/C12H11N3.ClH/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12;/h1-6H,7-8H2,(H,13,14);1H
InChIKeyDDFHQXAQWZWRSQ-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.01
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride (PubChem CID 11957470) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride
PubChem CID11957470
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride
SMILESCl.c1ccc2nc(C3=NCCN3)ccc2c1
InChIInChI=1S/C12H11N3.ClH/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12;/h1-6H,7-8H2,(H,13,14);1H
InChIKeyDDFHQXAQWZWRSQ-UHFFFAOYSA-N
XLogP2.01
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
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)quinoline;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride (CID 11957470) is 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride is Cl.c1ccc2nc(C3=NCCN3)ccc2c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride?
The InChIKey is DDFHQXAQWZWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3.ClH/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12;/h1-6H,7-8H2,(H,13,14);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 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)quinoline;hydrochloride is sourced from PubChem (CID 11957470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).