4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride

C15H18Cl3N3 — CID 173485890

IUPAC4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride
SMILESCCN1CC(C)=Cc2ccccc21.Cl.Clc1nc[nH]c1Cl
InChIInChI=1S/C12H15N.C3H2Cl2N2.ClH/c1-3-13-9-10(2)8-11-6-4-5-7-12(11)13;4-2-3(5)7-1-6-2;/h4-8H,3,9H2,1-2H3;1H,(H,6,7);1H
InChIKeyJEGZWCIAOIMTFI-UHFFFAOYSA-N
MW346.69 g/mol
LogP5.07
Rot. Bonds1

About 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride

4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride (PubChem CID 173485890) has the molecular formula C15H18Cl3N3 and a molecular weight of 346.69 g/mol. Its IUPAC name is 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride.

Molecular Properties

Compound Name4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride
PubChem CID173485890
Molecular FormulaC15H18Cl3N3
Molecular Weight346.69 g/mol
Exact Mass345.06
IUPAC Name4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride
SMILESCCN1CC(C)=Cc2ccccc21.Cl.Clc1nc[nH]c1Cl
InChIInChI=1S/C12H15N.C3H2Cl2N2.ClH/c1-3-13-9-10(2)8-11-6-4-5-7-12(11)13;4-2-3(5)7-1-6-2;/h4-8H,3,9H2,1-2H3;1H,(H,6,7);1H
InChIKeyJEGZWCIAOIMTFI-UHFFFAOYSA-N
XLogP5.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.69
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride?
The IUPAC name of 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride (CID 173485890) is 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride.
What is the SMILES notation for 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride?
The canonical SMILES for 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride is CCN1CC(C)=Cc2ccccc21.Cl.Clc1nc[nH]c1Cl.
What is the InChIKey of 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride?
The InChIKey is JEGZWCIAOIMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C3H2Cl2N2.ClH/c1-3-13-9-10(2)8-11-6-4-5-7-12(11)13;4-2-3(5)7-1-6-2;/h4-8H,3,9H2,1-2H3;1H,(H,6,7);1H.
What are the key properties of 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride?
4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride has a molecular weight of 346.69 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1H-imidazole;1-ethyl-3-methyl-2H-quinoline;hydrochloride is sourced from PubChem (CID 173485890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).