1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine

C16H15N3O2 — CID 115552214

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccc4c(c3)OCCO4)c12
InChIInChI=1S/C16H15N3O2/c1-10-3-2-4-12-15(10)19(16(17)18-12)11-5-6-13-14(9-11)21-8-7-20-13/h2-6,9H,7-8H2,1H3,(H2,17,18)
InChIKeyCUJORYDEIXSNGN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.69
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine (PubChem CID 115552214) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine
PubChem CID115552214
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccc4c(c3)OCCO4)c12
InChIInChI=1S/C16H15N3O2/c1-10-3-2-4-12-15(10)19(16(17)18-12)11-5-6-13-14(9-11)21-8-7-20-13/h2-6,9H,7-8H2,1H3,(H2,17,18)
InChIKeyCUJORYDEIXSNGN-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzimidazol-5-amine
CID 62507342
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79277003
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 661951
1-(1,3-benzodioxol-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66099411
1-[1-(dimethylamino)-4-methylpentan-2-yl]-7-methylbenzimidazol-2-amine
CID 115552380

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine (CID 115552214) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(-c3ccc4c(c3)OCCO4)c12.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine?
The InChIKey is CUJORYDEIXSNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-3-2-4-12-15(10)19(16(17)18-12)11-5-6-13-14(9-11)21-8-7-20-13/h2-6,9H,7-8H2,1H3,(H2,17,18).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).