6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole

C15H12N2O3 — CID 39158501

IUPAC6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESc1ccc(OCc2nc3cc4c(cc3[nH]2)OCO4)cc1
InChIInChI=1S/C15H12N2O3/c1-2-4-10(5-3-1)18-8-15-16-11-6-13-14(20-9-19-13)7-12(11)17-15/h1-7H,8-9H2,(H,16,17)
InChIKeyDGMDDMADACPBCU-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.87
Rot. Bonds3

About 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole

6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 39158501) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID39158501
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESc1ccc(OCc2nc3cc4c(cc3[nH]2)OCO4)cc1
InChIInChI=1S/C15H12N2O3/c1-2-4-10(5-3-1)18-8-15-16-11-6-13-14(20-9-19-13)7-12(11)17-15/h1-7H,8-9H2,(H,16,17)
InChIKeyDGMDDMADACPBCU-UHFFFAOYSA-N
XLogP2.87
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline
CID 82336768
5-chloro-2-[(6-chloro-1,3-benzodioxol-5-yl)oxymethyl]-6-methyl-1H-benzimidazole
CID 44589930
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016
5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
CID 82004585
2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349059
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethoxy)ethanamine
CID 79457371
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103977363
2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol
CID 82336761

Frequently Asked Questions

What is the IUPAC name of 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole (CID 39158501) is 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole is c1ccc(OCc2nc3cc4c(cc3[nH]2)OCO4)cc1.
What is the InChIKey of 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is DGMDDMADACPBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-4-10(5-3-1)18-8-15-16-11-6-13-14(20-9-19-13)7-12(11)17-15/h1-7H,8-9H2,(H,16,17).
What are the key properties of 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole?
6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 268.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 39158501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).