2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine

C119H175N15O2S — CID 163709332

IUPAC2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCc2ccccc21.CN1Cc2ccccc2C1.Cn1ccc2cccnc21.Cn1cnc2cnccc21.c1cc2c(cn1)OCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1cn2ccnc2cn1.c1cnc2c(c1)CCC2.c1cnc2ccnn2c1
InChIInChI=1S/2C9H11N.2C9H10.C8H8N2.C8H9N.C8H8O.C8H8S.C7H7N3.C7H7NO.2C6H5N3.12C2H6.CH4/c1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-5-9-7-3-6-8(9)4-1;1-10-6-4-7-3-2-5-9-8(7)10;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-10-5-9-6-4-8-3-2-7(6)10;1-3-8-5-7-6(1)2-4-9-7;1-3-9-4-2-8-6(9)5-7-1;1-3-7-6-2-4-8-9(6)5-1;12*1-2;/h2*2-5H,6-7H2,1H3;2*1-2,4-5H,3,6-7H2;2-6H,1H3;2,4,6H,1,3,5H2;2*1-4H,5-6H2;2-5H,1H3;1,3,5H,2,4H2;2*1-5H;12*1-2H3;1H4
InChIKeyKHUOYXBYQCOEFU-UHFFFAOYSA-N
MW1879.88 g/mol
LogP31.16
Rot. Bonds

About 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine

2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine (PubChem CID 163709332) has the molecular formula C119H175N15O2S and a molecular weight of 1879.88 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine
PubChem CID163709332
Molecular FormulaC119H175N15O2S
Molecular Weight1879.88 g/mol
Exact Mass1878.38
IUPAC Name2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCc2ccccc21.CN1Cc2ccccc2C1.Cn1ccc2cccnc21.Cn1cnc2cnccc21.c1cc2c(cn1)OCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1cn2ccnc2cn1.c1cnc2c(c1)CCC2.c1cnc2ccnn2c1
InChIInChI=1S/2C9H11N.2C9H10.C8H8N2.C8H9N.C8H8O.C8H8S.C7H7N3.C7H7NO.2C6H5N3.12C2H6.CH4/c1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-5-9-7-3-6-8(9)4-1;1-10-6-4-7-3-2-5-9-8(7)10;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-10-5-9-6-4-8-3-2-7(6)10;1-3-8-5-7-6(1)2-4-9-7;1-3-9-4-2-8-6(9)5-7-1;1-3-7-6-2-4-8-9(6)5-1;12*1-2;/h2*2-5H,6-7H2,1H3;2*1-2,4-5H,3,6-7H2;2-6H,1H3;2,4,6H,1,3,5H2;2*1-4H,5-6H2;2-5H,1H3;1,3,5H,2,4H2;2*1-5H;12*1-2H3;1H4
InChIKeyKHUOYXBYQCOEFU-UHFFFAOYSA-N
XLogP31.16
TPSA159.63 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.88
LogP ≤ 531.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-1H-isochromene;ethane;1-methylbenzimidazole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 159112164
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;bis(2,3-dihydrofuro[2,3-c]pyridine);tetrakis(2-methylpropane)
CID 159295259
4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;ethane;isoquinoline;quinoline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162229941
6,7-dihydro-5H-cyclopenta[b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-b]pyridazine
CID 161139951
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 158725841
1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole
CID 167665179
1-tert-butylindazole;tetrakis(2,2-dimethylpropane);ethane;9-methylpurine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;quinoline
CID 157419751
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
4-tert-butyl-3,5-dihydro-2H-1,4-benzoxazepine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;5-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine;5-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazepine;1-tert-butylindazole;3-tert-butyl-2,4,5,6-tetrahydro-1H-3-benzazocine;1-tert-butyl-2,3,4,6-tetrahydro-5,1-benzoxazocine;1-tert-butyl-2,3,5,6-tetrahydro-4,1-benzoxazocine;6-tert-butyl-2,3,4,5-tetrahydro-1,6-benzoxazocine;5-tert-butyl-6,7,8,9-tetrahydropyrido[3,2-b]azepine;ethane
CID 165010685
2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 158745132
bis(4-methyl-2,3-dihydro-1,4-benzoxazine);5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 158600228
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine (CID 163709332) is 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCc2ccccc21.CN1Cc2ccccc2C1.Cn1ccc2cccnc21.Cn1cnc2cnccc21.c1cc2c(cn1)OCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1cn2ccnc2cn1.c1cnc2c(c1)CCC2.c1cnc2ccnn2c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine?
The InChIKey is KHUOYXBYQCOEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2C9H10.C8H8N2.C8H9N.C8H8O.C8H8S.C7H7N3.C7H7NO.2C6H5N3.12C2H6.CH4/c1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-5-9-7-3-6-8(9)4-1;1-10-6-4-7-3-2-5-9-8(7)10;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-10-5-9-6-4-8-3-2-7(6)10;1-3-8-5-7-6(1)2-4-9-7;1-3-9-4-2-8-6(9)5-7-1;1-3-7-6-2-4-8-9(6)5-1;12*1-2;/h2*2-5H,6-7H2,1H3;2*1-2,4-5H,3,6-7H2;2-6H,1H3;2,4,6H,1,3,5H2;2*1-4H,5-6H2;2-5H,1H3;1,3,5H,2,4H2;2*1-5H;12*1-2H3;1H4.
What are the key properties of 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine?
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine has a molecular weight of 1879.88 g/mol, XLogP of 31.16, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;bis(2,3-dihydro-1H-indene);ethane;imidazo[1,2-a]pyrazine;methane;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methylimidazo[4,5-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163709332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).