1-benzofuran;1-benzothiophene;1H-indole;methane

C25H23NOS — CID 159295351

IUPAC1-benzofuran;1-benzothiophene;1H-indole;methane
SMILESC.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.CH4/c3*1-2-4-8-7(3-1)5-6-9-8;/h1-6,9H;2*1-6H;1H4
InChIKeyLAQJSBKHVRASPT-UHFFFAOYSA-N
MW385.53 g/mol
LogP8.14
Rot. Bonds

About 1-benzofuran;1-benzothiophene;1H-indole;methane

1-benzofuran;1-benzothiophene;1H-indole;methane (PubChem CID 159295351) has the molecular formula C25H23NOS and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;1H-indole;methane.

Molecular Properties

Compound Name1-benzofuran;1-benzothiophene;1H-indole;methane
PubChem CID159295351
Molecular FormulaC25H23NOS
Molecular Weight385.53 g/mol
Exact Mass385.15
IUPAC Name1-benzofuran;1-benzothiophene;1H-indole;methane
SMILESC.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.CH4/c3*1-2-4-8-7(3-1)5-6-9-8;/h1-6,9H;2*1-6H;1H4
InChIKeyLAQJSBKHVRASPT-UHFFFAOYSA-N
XLogP8.14
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran;1-benzothiophene;2H-isoindole
CID 161318272
1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;1H-indole;naphthalene
CID 159812743
benzene;1-benzofuran;1-benzothiophene;1H-indole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;thiophene
CID 161273330
benzene;1-benzofuran;methane
CID 161455380
1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
1H-benzimidazole;1-benzofuran;1-benzothiophene;5,6-dihydro-4H-1,3-thiazine;1,4-dioxane;1,4-dithiane;ethane;1H-indole;indolizine;thiomorpholine
CID 161090931
ethane;1H-indole;methane
CID 169425426
1H-indole;dihydrochloride
CID 18796541
1-benzofuran;piperazine
CID 68691578
1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-indole;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
CID 158039060
azepane;1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indole;methane;nonadecakis(2-methylpropane);morpholine;oxane;1,4-oxazepane;piperazine;piperidine;propan-2-ylcyclopropane;pyrrolidine
CID 162037298

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;1H-indole;methane?
The IUPAC name of 1-benzofuran;1-benzothiophene;1H-indole;methane (CID 159295351) is 1-benzofuran;1-benzothiophene;1H-indole;methane.
What is the SMILES notation for 1-benzofuran;1-benzothiophene;1H-indole;methane?
The canonical SMILES for 1-benzofuran;1-benzothiophene;1H-indole;methane is C.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.
What is the InChIKey of 1-benzofuran;1-benzothiophene;1H-indole;methane?
The InChIKey is LAQJSBKHVRASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6O.C8H6S.CH4/c3*1-2-4-8-7(3-1)5-6-9-8;/h1-6,9H;2*1-6H;1H4.
What are the key properties of 1-benzofuran;1-benzothiophene;1H-indole;methane?
1-benzofuran;1-benzothiophene;1H-indole;methane has a molecular weight of 385.53 g/mol, XLogP of 8.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-benzothiophene;1H-indole;methane is sourced from PubChem (CID 159295351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).