2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride

C21H20ClN3O — CID 19040851

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride
SMILESCl.OC(CN1C2=NCCN2c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O.ClH/c25-20(17-9-5-7-15-6-1-2-8-16(15)17)14-24-19-11-4-3-10-18(19)23-13-12-22-21(23)24;/h1-11,20,25H,12-14H2;1H
InChIKeyYQPDNZSRLJCVTG-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.99
Rot. Bonds3

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

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride (PubChem CID 19040851) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride
PubChem CID19040851
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride
SMILESCl.OC(CN1C2=NCCN2c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O.ClH/c25-20(17-9-5-7-15-6-1-2-8-16(15)17)14-24-19-11-4-3-10-18(19)23-13-12-22-21(23)24;/h1-11,20,25H,12-14H2;1H
InChIKeyYQPDNZSRLJCVTG-UHFFFAOYSA-N
XLogP3.99
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.99
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-naphthalen-1-ylethanol;hydrochloride?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride (CID 19040851) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride is Cl.OC(CN1C2=NCCN2c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride?
The InChIKey is YQPDNZSRLJCVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O.ClH/c25-20(17-9-5-7-15-6-1-2-8-16(15)17)14-24-19-11-4-3-10-18(19)23-13-12-22-21(23)24;/h1-11,20,25H,12-14H2;1H.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 3.99, 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-naphthalen-1-ylethanol;hydrochloride is sourced from PubChem (CID 19040851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).