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

C14H12N2O2S — CID 39158392

IUPAC2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1csc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c1
InChIInChI=1S/C14H12N2O2S/c1-2-9(19-5-1)6-14-15-10-7-12-13(8-11(10)16-14)18-4-3-17-12/h1-2,5,7-8H,3-4,6H2,(H,15,16)
InChIKeyBAYGSULADHZAJI-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.99
Rot. Bonds2

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

2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 39158392) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID39158392
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1csc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c1
InChIInChI=1S/C14H12N2O2S/c1-2-9(19-5-1)6-14-15-10-7-12-13(8-11(10)16-14)18-4-3-17-12/h1-2,5,7-8H,3-4,6H2,(H,15,16)
InChIKeyBAYGSULADHZAJI-UHFFFAOYSA-N
XLogP2.99
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334
2-(thiophen-3-ylmethyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168733
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374
2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349059
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-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
CID 82142003
2-(3-methylbutyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349056
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
CID 11846692
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153941

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 39158392) is 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is c1csc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is BAYGSULADHZAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-9(19-5-1)6-14-15-10-7-12-13(8-11(10)16-14)18-4-3-17-12/h1-2,5,7-8H,3-4,6H2,(H,15,16).
What are the key properties of 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 272.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 39158392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).