4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride

C20H19Cl2N3 — CID 23499155

IUPAC4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride
SMILESCC(c1cnc[nH]1)c1cc(-c2ccccc2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C20H17N3.2ClH/c1-14(20-12-21-13-22-20)17-11-19(15-7-3-2-4-8-15)23-18-10-6-5-9-16(17)18;;/h2-14H,1H3,(H,21,22);2*1H
InChIKeyBWQWYONKQRMDRF-UHFFFAOYSA-N
MW372.30 g/mol
LogP5.62
Rot. Bonds3

About 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride

4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride (PubChem CID 23499155) has the molecular formula C20H19Cl2N3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride.

Molecular Properties

Compound Name4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride
PubChem CID23499155
Molecular FormulaC20H19Cl2N3
Molecular Weight372.30 g/mol
Exact Mass371.10
IUPAC Name4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride
SMILESCC(c1cnc[nH]1)c1cc(-c2ccccc2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C20H17N3.2ClH/c1-14(20-12-21-13-22-20)17-11-19(15-7-3-2-4-8-15)23-18-10-6-5-9-16(17)18;;/h2-14H,1H3,(H,21,22);2*1H
InChIKeyBWQWYONKQRMDRF-UHFFFAOYSA-N
XLogP5.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride?
The IUPAC name of 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride (CID 23499155) is 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride.
What is the SMILES notation for 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride?
The canonical SMILES for 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride is CC(c1cnc[nH]1)c1cc(-c2ccccc2)nc2ccccc12.Cl.Cl.
What is the InChIKey of 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride?
The InChIKey is BWQWYONKQRMDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3.2ClH/c1-14(20-12-21-13-22-20)17-11-19(15-7-3-2-4-8-15)23-18-10-6-5-9-16(17)18;;/h2-14H,1H3,(H,21,22);2*1H.
What are the key properties of 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride?
4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride is sourced from PubChem (CID 23499155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).