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

C19H22ClN3O — CID 2910328

IUPAC2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN2C3=NCCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-14-7-9-15(10-8-14)18(23)13-22-17-6-3-2-5-16(17)21-12-4-11-20-19(21)22;/h2-3,5-10,18,23H,4,11-13H2,1H3;1H
InChIKeyNTZDBMAHWBXWSB-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.54
Rot. Bonds3

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

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride (PubChem CID 2910328) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride
PubChem CID2910328
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN2C3=NCCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-14-7-9-15(10-8-14)18(23)13-22-17-6-3-2-5-16(17)21-12-4-11-20-19(21)22;/h2-3,5-10,18,23H,4,11-13H2,1H3;1H
InChIKeyNTZDBMAHWBXWSB-UHFFFAOYSA-N
XLogP3.54
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.54
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)-1-(4-methylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride (CID 2910328) is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride is Cc1ccc(C(O)CN2C3=NCCCN3c3ccccc32)cc1.Cl.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The InChIKey is NTZDBMAHWBXWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c1-14-7-9-15(10-8-14)18(23)13-22-17-6-3-2-5-16(17)21-12-4-11-20-19(21)22;/h2-3,5-10,18,23H,4,11-13H2,1H3;1H.
What are the key properties of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methylphenyl)ethanol;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.54, 3 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)-1-(4-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 2910328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).