1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride

C20H21Cl2N3 — CID 67559252

IUPAC1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride
SMILESCC(c1cnc[nH]1)N1c2ccccc2C=CC1c1ccccc1.Cl.Cl
InChIInChI=1S/C20H19N3.2ClH/c1-15(18-13-21-14-22-18)23-19-10-6-5-9-17(19)11-12-20(23)16-7-3-2-4-8-16;;/h2-15,20H,1H3,(H,21,22);2*1H
InChIKeyCXOJOHWHUVPKTR-UHFFFAOYSA-N
MW374.32 g/mol
LogP5.59
Rot. Bonds3

About 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride

1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride (PubChem CID 67559252) has the molecular formula C20H21Cl2N3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride.

Molecular Properties

Compound Name1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride
PubChem CID67559252
Molecular FormulaC20H21Cl2N3
Molecular Weight374.32 g/mol
Exact Mass373.11
IUPAC Name1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride
SMILESCC(c1cnc[nH]1)N1c2ccccc2C=CC1c1ccccc1.Cl.Cl
InChIInChI=1S/C20H19N3.2ClH/c1-15(18-13-21-14-22-18)23-19-10-6-5-9-17(19)11-12-20(23)16-7-3-2-4-8-16;;/h2-15,20H,1H3,(H,21,22);2*1H
InChIKeyCXOJOHWHUVPKTR-UHFFFAOYSA-N
XLogP5.59
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride?
The IUPAC name of 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride (CID 67559252) is 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride.
What is the SMILES notation for 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride?
The canonical SMILES for 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride is CC(c1cnc[nH]1)N1c2ccccc2C=CC1c1ccccc1.Cl.Cl.
What is the InChIKey of 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride?
The InChIKey is CXOJOHWHUVPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3.2ClH/c1-15(18-13-21-14-22-18)23-19-10-6-5-9-17(19)11-12-20(23)16-7-3-2-4-8-16;;/h2-15,20H,1H3,(H,21,22);2*1H.
What are the key properties of 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride?
1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-5-yl)ethyl]-2-phenyl-2H-quinoline;dihydrochloride is sourced from PubChem (CID 67559252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).