2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride

C16H15ClN2O2 — CID 12761781

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride
SMILESCl.c1ccc2c(c1)OCC(Cc1nc3ccccc3[nH]1)O2
InChIInChI=1S/C16H14N2O2.ClH/c1-2-6-13-12(5-1)17-16(18-13)9-11-10-19-14-7-3-4-8-15(14)20-11;/h1-8,11H,9-10H2,(H,17,18);1H
InChIKeyFBRFFRNLIKFHGC-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.37
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride (PubChem CID 12761781) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride
PubChem CID12761781
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride
SMILESCl.c1ccc2c(c1)OCC(Cc1nc3ccccc3[nH]1)O2
InChIInChI=1S/C16H14N2O2.ClH/c1-2-6-13-12(5-1)17-16(18-13)9-11-10-19-14-7-3-4-8-15(14)20-11;/h1-8,11H,9-10H2,(H,17,18);1H
InChIKeyFBRFFRNLIKFHGC-UHFFFAOYSA-N
XLogP3.37
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride (CID 12761781) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride is Cl.c1ccc2c(c1)OCC(Cc1nc3ccccc3[nH]1)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride?
The InChIKey is FBRFFRNLIKFHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2.ClH/c1-2-6-13-12(5-1)17-16(18-13)9-11-10-19-14-7-3-4-8-15(14)20-11;/h1-8,11H,9-10H2,(H,17,18);1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 12761781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).