1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride

C16H17ClN2O — CID 24746915

IUPAC1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride
SMILESCc1cccc(OCc2nc3ccccc3n2C)c1.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-12-6-5-7-13(10-12)19-11-16-17-14-8-3-4-9-15(14)18(16)2;/h3-10H,11H2,1-2H3;1H
InChIKeySBUHMKONOCBFBT-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.88
Rot. Bonds3

About 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride

1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride (PubChem CID 24746915) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride
PubChem CID24746915
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride
SMILESCc1cccc(OCc2nc3ccccc3n2C)c1.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-12-6-5-7-13(10-12)19-11-16-17-14-8-3-4-9-15(14)18(16)2;/h3-10H,11H2,1-2H3;1H
InChIKeySBUHMKONOCBFBT-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride?
The IUPAC name of 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride (CID 24746915) is 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride.
What is the SMILES notation for 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride?
The canonical SMILES for 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride is Cc1cccc(OCc2nc3ccccc3n2C)c1.Cl.
What is the InChIKey of 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride?
The InChIKey is SBUHMKONOCBFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.ClH/c1-12-6-5-7-13(10-12)19-11-16-17-14-8-3-4-9-15(14)18(16)2;/h3-10H,11H2,1-2H3;1H.
What are the key properties of 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride?
1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole;hydrochloride is sourced from PubChem (CID 24746915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).