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

C18H18N2O3 — CID 47073519

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol
SMILESCc1nc2ccccc2n1CC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O3/c1-12-19-14-4-2-3-5-15(14)20(12)11-16(21)13-6-7-17-18(10-13)23-9-8-22-17/h2-7,10,16,21H,8-9,11H2,1H3
InChIKeyVLSCGRULVMHIQH-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.85
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol (PubChem CID 47073519) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol
PubChem CID47073519
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol
SMILESCc1nc2ccccc2n1CC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O3/c1-12-19-14-4-2-3-5-15(14)20(12)11-16(21)13-6-7-17-18(10-13)23-9-8-22-17/h2-7,10,16,21H,8-9,11H2,1H3
InChIKeyVLSCGRULVMHIQH-UHFFFAOYSA-N
XLogP2.85
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol 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

1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
CID 43531451
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol
CID 52516655
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172847
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylphenyl)ethanol
CID 62792009
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)ethanol
CID 61088239
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylimidazol-2-one
CID 80583217
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]prop-2-enamide
CID 78779154
3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol (CID 47073519) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol is Cc1nc2ccccc2n1CC(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol?
The InChIKey is VLSCGRULVMHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-19-14-4-2-3-5-15(14)20(12)11-16(21)13-6-7-17-18(10-13)23-9-8-22-17/h2-7,10,16,21H,8-9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol has a molecular weight of 310.35 g/mol, XLogP of 2.85, 3 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)-2-(2-methylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 47073519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).