2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C16H13FN2O2 — CID 43349059

IUPAC2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESFc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C16H13FN2O2/c17-11-4-2-1-3-10(11)7-16-18-12-8-14-15(9-13(12)19-16)21-6-5-20-14/h1-4,8-9H,5-7H2,(H,18,19)
InChIKeyHVMWJJUULFOAIR-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.06
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 43349059) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID43349059
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESFc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C16H13FN2O2/c17-11-4-2-1-3-10(11)7-16-18-12-8-14-15(9-13(12)19-16)21-6-5-20-14/h1-4,8-9H,5-7H2,(H,18,19)
InChIKeyHVMWJJUULFOAIR-UHFFFAOYSA-N
XLogP3.06
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole 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

5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 39158392
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl)aniline
CID 65346593
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242
2-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine
CID 63268921
2-(3-methylbutyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349056
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethoxy)ethanamine
CID 79457371
6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 39158501
2-(thiophen-3-ylmethyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168733
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798737

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 43349059) is 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is Fc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is HVMWJJUULFOAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-11-4-2-1-3-10(11)7-16-18-12-8-14-15(9-13(12)19-16)21-6-5-20-14/h1-4,8-9H,5-7H2,(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 284.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 43349059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).