(1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol

C18H17N3O3 — CID 948489

IUPAC(1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
SMILESO[C@H](CN1C2=NCCN2c2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O3/c22-15(12-5-6-16-17(9-12)24-11-23-16)10-21-14-4-2-1-3-13(14)20-8-7-19-18(20)21/h1-6,9,15,22H,7-8,10-11H2/t15-/m1/s1
InChIKeyAUSZIBBUZHVDLH-OAHLLOKOSA-N
MW323.35 g/mol
LogP2.14
Rot. Bonds3

About (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol

(1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol (PubChem CID 948489) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
PubChem CID948489
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
SMILESO[C@H](CN1C2=NCCN2c2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O3/c22-15(12-5-6-16-17(9-12)24-11-23-16)10-21-14-4-2-1-3-13(14)20-8-7-19-18(20)21/h1-6,9,15,22H,7-8,10-11H2/t15-/m1/s1
InChIKeyAUSZIBBUZHVDLH-OAHLLOKOSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-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-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol
CID 649825
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanol
CID 60980183
4-ethyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 13077473
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol
CID 8005106
1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol
CID 66461659
1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 60979825
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
The IUPAC name of (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol (CID 948489) is (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
The canonical SMILES for (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol is O[C@H](CN1C2=NCCN2c2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
The InChIKey is AUSZIBBUZHVDLH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-15(12-5-6-16-17(9-12)24-11-23-16)10-21-14-4-2-1-3-13(14)20-8-7-19-18(20)21/h1-6,9,15,22H,7-8,10-11H2/t15-/m1/s1.
What are the key properties of (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
(1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol has a molecular weight of 323.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol is sourced from PubChem (CID 948489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).