2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride

C18H24ClN3 — CID 174910597

IUPAC2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride
SMILESCC(C)c1cnc(C(C)C)[nH]1.Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H16N2.C9H7N.ClH/c1-6(2)8-5-10-9(11-8)7(3)4;1-2-6-9-8(4-1)5-3-7-10-9;/h5-7H,1-4H3,(H,10,11);1-7H;1H
InChIKeyJZKRGQUCNILKLD-UHFFFAOYSA-N
MW317.86 g/mol
LogP5.31
Rot. Bonds2

About 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride

2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride (PubChem CID 174910597) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride
PubChem CID174910597
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC Name2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride
SMILESCC(C)c1cnc(C(C)C)[nH]1.Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H16N2.C9H7N.ClH/c1-6(2)8-5-10-9(11-8)7(3)4;1-2-6-9-8(4-1)5-3-7-10-9;/h5-7H,1-4H3,(H,10,11);1-7H;1H
InChIKeyJZKRGQUCNILKLD-UHFFFAOYSA-N
XLogP5.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.86
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride?
The IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride (CID 174910597) is 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride.
What is the SMILES notation for 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride?
The canonical SMILES for 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride is CC(C)c1cnc(C(C)C)[nH]1.Cl.c1ccc2ncccc2c1.
What is the InChIKey of 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride?
The InChIKey is JZKRGQUCNILKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C9H7N.ClH/c1-6(2)8-5-10-9(11-8)7(3)4;1-2-6-9-8(4-1)5-3-7-10-9;/h5-7H,1-4H3,(H,10,11);1-7H;1H.
What are the key properties of 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride?
2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride is sourced from PubChem (CID 174910597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).