(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol

C19H20N2O3 — CID 52516655

IUPAC(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol
SMILESCc1cc2ncn(C[C@H](O)c3ccc4c(c3)OCCO4)c2cc1C
InChIInChI=1S/C19H20N2O3/c1-12-7-15-16(8-13(12)2)21(11-20-15)10-17(22)14-3-4-18-19(9-14)24-6-5-23-18/h3-4,7-9,11,17,22H,5-6,10H2,1-2H3/t17-/m0/s1
InChIKeyIZUBLHWCVIXKNG-KRWDZBQOSA-N
MW324.38 g/mol
LogP3.16
Rot. Bonds3

About (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol

(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol (PubChem CID 52516655) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol
PubChem CID52516655
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol
SMILESCc1cc2ncn(C[C@H](O)c3ccc4c(c3)OCCO4)c2cc1C
InChIInChI=1S/C19H20N2O3/c1-12-7-15-16(8-13(12)2)21(11-20-15)10-17(22)14-3-4-18-19(9-14)24-6-5-23-18/h3-4,7-9,11,17,22H,5-6,10H2,1-2H3/t17-/m0/s1
InChIKeyIZUBLHWCVIXKNG-KRWDZBQOSA-N
XLogP3.16
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 94382151
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 52501696
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172847
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537163
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyrimidin-4-one
CID 63769047
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47073519
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylimidazol-2-one
CID 80583217
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060738
1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole
CID 30743968
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol
CID 95610496
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83135383

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol?
The IUPAC name of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol (CID 52516655) is (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol is Cc1cc2ncn(C[C@H](O)c3ccc4c(c3)OCCO4)c2cc1C.
What is the InChIKey of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol?
The InChIKey is IZUBLHWCVIXKNG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-7-15-16(8-13(12)2)21(11-20-15)10-17(22)14-3-4-18-19(9-14)24-6-5-23-18/h3-4,7-9,11,17,22H,5-6,10H2,1-2H3/t17-/m0/s1.
What are the key properties of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol?
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol has a molecular weight of 324.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 52516655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).