1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline

C146H188N16O8S — CID 158247351

IUPAC1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline
SMILESC=C1Nc2ccccc2O1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=c1[nH]c2ccccc2[nH]1.O=c1ccc2ccccc2o1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CN=N2.c1ccc2c(c1)NCO2.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C9H7N.C9H6O2.C9H10.C8H6N2.C8H7NO.C8H7N.C8H8O.C8H6O.C7H6N2O.3C7H6N2.C7H7NO.C7H5NO.C7H5NS.15C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-6-9-7-4-2-3-5-8(7)10-6;3*1-2-4-8-7(3-1)5-6-9-8;10-7-8-5-3-1-2-4-6(5)9-7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-7-6(3-1)8-5-9-7;15*1-2/h1-7H;1-6H;1-2,4-5H,3,6-7H2;1-6H;2-5,9H,1H2;1-6,9H;1-4H,5-6H2;1-6H;1-4H,(H2,8,9,10);1-5H,(H,8,9);1-4H,5H2;1-5H,(H,8,9);1-4,8H,5H2;2*1-5H;15*1-2H3
InChIKeyGGHAOIQXZDOMHS-UHFFFAOYSA-N
MW2327.28 g/mol
LogP43.25
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline

1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline (PubChem CID 158247351) has the molecular formula C146H188N16O8S and a molecular weight of 2327.28 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline
PubChem CID158247351
Molecular FormulaC146H188N16O8S
Molecular Weight2327.28 g/mol
Exact Mass2325.45
IUPAC Name1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline
SMILESC=C1Nc2ccccc2O1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=c1[nH]c2ccccc2[nH]1.O=c1ccc2ccccc2o1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CN=N2.c1ccc2c(c1)NCO2.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C9H7N.C9H6O2.C9H10.C8H6N2.C8H7NO.C8H7N.C8H8O.C8H6O.C7H6N2O.3C7H6N2.C7H7NO.C7H5NO.C7H5NS.15C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-6-9-7-4-2-3-5-8(7)10-6;3*1-2-4-8-7(3-1)5-6-9-8;10-7-8-5-3-1-2-4-6(5)9-7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-7-6(3-1)8-5-9-7;15*1-2/h1-7H;1-6H;1-2,4-5H,3,6-7H2;1-6H;2-5,9H,1H2;1-6,9H;1-4H,5-6H2;1-6H;1-4H,(H2,8,9,10);1-5H,(H,8,9);1-4H,5H2;1-5H,(H,8,9);1-4,8H,5H2;2*1-5H;15*1-2H3
InChIKeyGGHAOIQXZDOMHS-UHFFFAOYSA-N
XLogP43.25
TPSA319.21 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002327.28
LogP ≤ 543.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline (CID 158247351) is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline is C=C1Nc2ccccc2O1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=c1[nH]c2ccccc2[nH]1.O=c1ccc2ccccc2o1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CN=N2.c1ccc2c(c1)NCO2.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline?
The InChIKey is GGHAOIQXZDOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C9H6O2.C9H10.C8H6N2.C8H7NO.C8H7N.C8H8O.C8H6O.C7H6N2O.3C7H6N2.C7H7NO.C7H5NO.C7H5NS.15C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-6-9-7-4-2-3-5-8(7)10-6;3*1-2-4-8-7(3-1)5-6-9-8;10-7-8-5-3-1-2-4-6(5)9-7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-7-6(3-1)8-5-9-7;15*1-2/h1-7H;1-6H;1-2,4-5H,3,6-7H2;1-6H;2-5,9H,1H2;1-6,9H;1-4H,5-6H2;1-6H;1-4H,(H2,8,9,10);1-5H,(H,8,9);1-4H,5H2;1-5H,(H,8,9);1-4,8H,5H2;2*1-5H;15*1-2H3.
What are the key properties of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline?
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline has a molecular weight of 2327.28 g/mol, XLogP of 43.25, 0 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;2-methylidene-3H-1,3-benzoxazole;quinoline;quinoxaline is sourced from PubChem (CID 158247351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).