[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine

C16H15N3O2 — CID 79004144

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(C3COc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C16H15N3O2/c17-8-10-5-6-11-12(7-10)19-16(18-11)15-9-20-13-3-1-2-4-14(13)21-15/h1-7,15H,8-9,17H2,(H,18,19)
InChIKeyDLXWLLPSYBIQSC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.53
Rot. Bonds2

About [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004144) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004144
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(C3COc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C16H15N3O2/c17-8-10-5-6-11-12(7-10)19-16(18-11)15-9-20-13-3-1-2-4-14(13)21-15/h1-7,15H,8-9,17H2,(H,18,19)
InChIKeyDLXWLLPSYBIQSC-UHFFFAOYSA-N
XLogP2.53
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 20561733
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164303
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 58164077
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 60978794
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole
CID 58164285
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475236
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477522
6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-pyrimidine-4-thione
CID 106475996
[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine
CID 107184982
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol
CID 65351596
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine (CID 79004144) is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(C3COc4ccccc4O3)[nH]c2c1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is DLXWLLPSYBIQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-8-10-5-6-11-12(7-10)19-16(18-11)15-9-20-13-3-1-2-4-14(13)21-15/h1-7,15H,8-9,17H2,(H,18,19).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine?
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 281.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).