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

C18H19BrClN3O — CID 2908008

IUPAC1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride
SMILESCl.OC(CN1C2=NCCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O.ClH/c19-14-8-6-13(7-9-14)17(23)12-22-16-5-2-1-4-15(16)21-11-3-10-20-18(21)22;/h1-2,4-9,17,23H,3,10-12H2;1H
InChIKeyPPJHANLEXBQGFP-UHFFFAOYSA-N
MW408.73 g/mol
LogP3.99
Rot. Bonds3

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

1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride (PubChem CID 2908008) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride
PubChem CID2908008
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC Name1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride
SMILESCl.OC(CN1C2=NCCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O.ClH/c19-14-8-6-13(7-9-14)17(23)12-22-16-5-2-1-4-15(16)21-11-3-10-20-18(21)22;/h1-2,4-9,17,23H,3,10-12H2;1H
InChIKeyPPJHANLEXBQGFP-UHFFFAOYSA-N
XLogP3.99
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride (CID 2908008) is 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride is Cl.OC(CN1C2=NCCCN2c2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
The InChIKey is PPJHANLEXBQGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O.ClH/c19-14-8-6-13(7-9-14)17(23)12-22-16-5-2-1-4-15(16)21-11-3-10-20-18(21)22;/h1-2,4-9,17,23H,3,10-12H2;1H.
What are the key properties of 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride?
1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride has a molecular weight of 408.73 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 1-(4-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol;hydrochloride is sourced from PubChem (CID 2908008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).