bis(1H-imidazole);quinoline

C24H22N6 — CID 174662508

IUPACbis(1H-imidazole);quinoline
SMILESc1c[nH]cn1.c1c[nH]cn1.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2C3H4N2/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-3-4-1/h2*1-7H;2*1-3H,(H,4,5)
InChIKeyCUDWASURJHCMFM-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.29
Rot. Bonds

About bis(1H-imidazole);quinoline

bis(1H-imidazole);quinoline (PubChem CID 174662508) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is bis(1H-imidazole);quinoline.

Molecular Properties

Compound Namebis(1H-imidazole);quinoline
PubChem CID174662508
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Namebis(1H-imidazole);quinoline
SMILESc1c[nH]cn1.c1c[nH]cn1.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2C3H4N2/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-3-4-1/h2*1-7H;2*1-3H,(H,4,5)
InChIKeyCUDWASURJHCMFM-UHFFFAOYSA-N
XLogP5.29
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);quinoline?
The IUPAC name of bis(1H-imidazole);quinoline (CID 174662508) is bis(1H-imidazole);quinoline.
What is the SMILES notation for bis(1H-imidazole);quinoline?
The canonical SMILES for bis(1H-imidazole);quinoline is c1c[nH]cn1.c1c[nH]cn1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of bis(1H-imidazole);quinoline?
The InChIKey is CUDWASURJHCMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.2C3H4N2/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-3-4-1/h2*1-7H;2*1-3H,(H,4,5).
What are the key properties of bis(1H-imidazole);quinoline?
bis(1H-imidazole);quinoline has a molecular weight of 394.48 g/mol, XLogP of 5.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);quinoline is sourced from PubChem (CID 174662508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).