2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride

C24H21Cl2N3 — CID 161120060

IUPAC2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride
SMILESCl.ClC1N(c2ccccc2)C=CN1c1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C15H13ClN2.C9H7N.ClH/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14;1-2-6-9-8(4-1)5-3-7-10-9;/h1-12,15H;1-7H;1H
InChIKeyUDUIWDIUOPWSJH-UHFFFAOYSA-N
MW422.36 g/mol
LogP6.66
Rot. Bonds2

About 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride

2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride (PubChem CID 161120060) has the molecular formula C24H21Cl2N3 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride.

Molecular Properties

Compound Name2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride
PubChem CID161120060
Molecular FormulaC24H21Cl2N3
Molecular Weight422.36 g/mol
Exact Mass421.11
IUPAC Name2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride
SMILESCl.ClC1N(c2ccccc2)C=CN1c1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C15H13ClN2.C9H7N.ClH/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14;1-2-6-9-8(4-1)5-3-7-10-9;/h1-12,15H;1-7H;1H
InChIKeyUDUIWDIUOPWSJH-UHFFFAOYSA-N
XLogP6.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride?
The IUPAC name of 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride (CID 161120060) is 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride.
What is the SMILES notation for 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride?
The canonical SMILES for 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride is Cl.ClC1N(c2ccccc2)C=CN1c1ccccc1.c1ccc2ncccc2c1.
What is the InChIKey of 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride?
The InChIKey is UDUIWDIUOPWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2.C9H7N.ClH/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14;1-2-6-9-8(4-1)5-3-7-10-9;/h1-12,15H;1-7H;1H.
What are the key properties of 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride?
2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride has a molecular weight of 422.36 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-diphenyl-2H-imidazole;quinoline;hydrochloride is sourced from PubChem (CID 161120060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).