3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol

C18H17FN2O3 — CID 82149624

IUPAC3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol
SMILESOCCCn1c(-c2ccccc2F)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H17FN2O3/c19-13-5-2-1-4-12(13)18-20-14-10-16-17(24-9-8-23-16)11-15(14)21(18)6-3-7-22/h1-2,4-5,10-11,22H,3,6-9H2
InChIKeyPLBSDNLBZRIKFL-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.00
Rot. Bonds4

About 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol

3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol (PubChem CID 82149624) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol
PubChem CID82149624
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol
SMILESOCCCn1c(-c2ccccc2F)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H17FN2O3/c19-13-5-2-1-4-12(13)18-20-14-10-16-17(24-9-8-23-16)11-15(14)21(18)6-3-7-22/h1-2,4-5,10-11,22H,3,6-9H2
InChIKeyPLBSDNLBZRIKFL-UHFFFAOYSA-N
XLogP3.00
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol 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

2-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanamine
CID 94749003
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
3-[2-(2-methylphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propanenitrile
CID 94748994
4-[5,6-difluoro-2-(2-fluorophenyl)benzimidazol-1-yl]butanenitrile
CID 94757427
3-[6-chloro-2-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 94757538
2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
CID 82149438
2-(2-phenyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetic acid
CID 94748982
3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
CID 82149522
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913
2-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanol
CID 82149428
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748670

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol?
The IUPAC name of 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol (CID 82149624) is 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol is OCCCn1c(-c2ccccc2F)nc2cc3c(cc21)OCCO3.
What is the InChIKey of 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol?
The InChIKey is PLBSDNLBZRIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-13-5-2-1-4-12(13)18-20-14-10-16-17(24-9-8-23-16)11-15(14)21(18)6-3-7-22/h1-2,4-5,10-11,22H,3,6-9H2.
What are the key properties of 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol?
3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol has a molecular weight of 328.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-1-ol is sourced from PubChem (CID 82149624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).