2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride

C18H20ClN3O — CID 6603136

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN2C3=NCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-13-6-8-14(9-7-13)17(22)12-21-16-5-3-2-4-15(16)20-11-10-19-18(20)21;/h2-9,17,22H,10-12H2,1H3;1H
InChIKeyIANFQOJFGLCACC-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.15
Rot. Bonds3

About 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride (PubChem CID 6603136) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride
PubChem CID6603136
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN2C3=NCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-13-6-8-14(9-7-13)17(22)12-21-16-5-3-2-4-15(16)20-11-10-19-18(20)21;/h2-9,17,22H,10-12H2,1H3;1H
InChIKeyIANFQOJFGLCACC-UHFFFAOYSA-N
XLogP3.15
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride (CID 6603136) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride is Cc1ccc(C(O)CN2C3=NCCN3c3ccccc32)cc1.Cl.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The InChIKey is IANFQOJFGLCACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-13-6-8-14(9-7-13)17(22)12-21-16-5-3-2-4-15(16)20-11-10-19-18(20)21;/h2-9,17,22H,10-12H2,1H3;1H.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 6603136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).