2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride

C12H16ClN3O — CID 23724252

IUPAC2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride
SMILESCl.OCCN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c16-9-8-15-11-5-2-1-4-10(11)14-7-3-6-13-12(14)15;/h1-2,4-5,16H,3,6-9H2;1H
InChIKeyUYXMZWSTGJZOEM-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.49
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride (PubChem CID 23724252) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride
PubChem CID23724252
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride
SMILESCl.OCCN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c16-9-8-15-11-5-2-1-4-10(11)14-7-3-6-13-12(14)15;/h1-2,4-5,16H,3,6-9H2;1H
InChIKeyUYXMZWSTGJZOEM-UHFFFAOYSA-N
XLogP1.49
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
The IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride (CID 23724252) is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride is Cl.OCCN1C2=NCCCN2c2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
The InChIKey is UYXMZWSTGJZOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c16-9-8-15-11-5-2-1-4-10(11)14-7-3-6-13-12(14)15;/h1-2,4-5,16H,3,6-9H2;1H.
What are the key properties of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride is sourced from PubChem (CID 23724252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).