1-(2-phenylethyl)benzimidazole;hydrochloride

C15H15ClN2 — CID 54604941

IUPAC1-(2-phenylethyl)benzimidazole;hydrochloride
SMILESCl.c1ccc(CCn2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N2.ClH/c1-2-6-13(7-3-1)10-11-17-12-16-14-8-4-5-9-15(14)17;/h1-9,12H,10-11H2;1H
InChIKeyIYYNDSMUCPPBTF-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.70
Rot. Bonds3

About 1-(2-phenylethyl)benzimidazole;hydrochloride

1-(2-phenylethyl)benzimidazole;hydrochloride (PubChem CID 54604941) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(2-phenylethyl)benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylethyl)benzimidazole;hydrochloride
PubChem CID54604941
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name1-(2-phenylethyl)benzimidazole;hydrochloride
SMILESCl.c1ccc(CCn2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N2.ClH/c1-2-6-13(7-3-1)10-11-17-12-16-14-8-4-5-9-15(14)17;/h1-9,12H,10-11H2;1H
InChIKeyIYYNDSMUCPPBTF-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
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3-(benzimidazol-1-yl)-N-benzylpropanamide
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1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
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benzyl 4-(benzimidazol-1-yl)butanoate
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2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
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2-(benzimidazol-1-yl)ethanesulfonyl fluoride
CID 4107358
[1-(benzimidazol-1-yl)-4-phenylbutan-2-yl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)benzimidazole;hydrochloride?
The IUPAC name of 1-(2-phenylethyl)benzimidazole;hydrochloride (CID 54604941) is 1-(2-phenylethyl)benzimidazole;hydrochloride.
What is the SMILES notation for 1-(2-phenylethyl)benzimidazole;hydrochloride?
The canonical SMILES for 1-(2-phenylethyl)benzimidazole;hydrochloride is Cl.c1ccc(CCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenylethyl)benzimidazole;hydrochloride?
The InChIKey is IYYNDSMUCPPBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2.ClH/c1-2-6-13(7-3-1)10-11-17-12-16-14-8-4-5-9-15(14)17;/h1-9,12H,10-11H2;1H.
What are the key properties of 1-(2-phenylethyl)benzimidazole;hydrochloride?
1-(2-phenylethyl)benzimidazole;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)benzimidazole;hydrochloride is sourced from PubChem (CID 54604941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).