methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C263H345N19O13 — CID 157224544

IUPACmethane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESC.C.C.C.C.C.C.C.C.C.C.C=C1C=Cc2cccc(C(C)C)c2C1.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2c(cccc2C(C)C)O1.C=C1Cc2cccc(C(C)C)c2O1.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2ocnc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c(=O)[nH]cnc12.CC(C)c1cccc2c1C(=O)CC=C2.CC(C)c1cccc2c1C(=O)CC=N2.CC(C)c1cccc2c1CCCCO2.CC(C)c1cccc2c1CNCC2.CC(C)c1cccc2c1COCCO2.CC(C)c1cccc2c1OCCOC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ocnc12.CC(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C14H16.C13H14O.C13H18O.C12H13NO.2C12H15N.C12H17N.2C12H16O2.2C12H14O.C11H12N2O.C11H12N2.4C11H13N.2C10H12N2.3C10H11NO.11CH4/c1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-9(2)11-7-3-5-10-6-4-8-12(14)13(10)11;1-10(2)11-7-5-8-13-12(11)6-3-4-9-14-13;1-8(2)9-4-3-5-10-12(9)11(14)6-7-13-10;2*1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)10-4-3-5-12-11(10)8-13-6-7-14-12;1-9(2)11-5-3-4-10-8-13-6-7-14-12(10)11;1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-8(2)11-6-4-5-10-7-9(3)13-12(10)11;1-7(2)8-4-3-5-9-10(8)12-6-13-11(9)14;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;;;;;;;;;;;/h4-8,10H,3,9H2,1-2H3;3-7,9H,8H2,1-2H3;5,7-8,10H,3-4,6,9H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;2*3-5,9H,6-8H2,1-2H3;2*4-6,8H,3,7H2,1-2H3;3-7H,1-2H3,(H,12,13,14);3-8H,1-2H3;4*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;11*1H4
InChIKeyATJTYVQLBZXIRW-UHFFFAOYSA-N
MW3980.77 g/mol
LogP74.15
Rot. Bonds22

About methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 157224544) has the molecular formula C263H345N19O13 and a molecular weight of 3980.77 g/mol. Its IUPAC name is methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Namemethane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID157224544
Molecular FormulaC263H345N19O13
Molecular Weight3980.77 g/mol
Exact Mass3977.69
IUPAC Namemethane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESC.C.C.C.C.C.C.C.C.C.C.C=C1C=Cc2cccc(C(C)C)c2C1.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2c(cccc2C(C)C)O1.C=C1Cc2cccc(C(C)C)c2O1.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2ocnc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c(=O)[nH]cnc12.CC(C)c1cccc2c1C(=O)CC=C2.CC(C)c1cccc2c1C(=O)CC=N2.CC(C)c1cccc2c1CCCCO2.CC(C)c1cccc2c1CNCC2.CC(C)c1cccc2c1COCCO2.CC(C)c1cccc2c1OCCOC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ocnc12.CC(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C14H16.C13H14O.C13H18O.C12H13NO.2C12H15N.C12H17N.2C12H16O2.2C12H14O.C11H12N2O.C11H12N2.4C11H13N.2C10H12N2.3C10H11NO.11CH4/c1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-9(2)11-7-3-5-10-6-4-8-12(14)13(10)11;1-10(2)11-7-5-8-13-12(11)6-3-4-9-14-13;1-8(2)9-4-3-5-10-12(9)11(14)6-7-13-10;2*1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)10-4-3-5-12-11(10)8-13-6-7-14-12;1-9(2)11-5-3-4-10-8-13-6-7-14-12(10)11;1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-8(2)11-6-4-5-10-7-9(3)13-12(10)11;1-7(2)8-4-3-5-9-10(8)12-6-13-11(9)14;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;;;;;;;;;;;/h4-8,10H,3,9H2,1-2H3;3-7,9H,8H2,1-2H3;5,7-8,10H,3-4,6,9H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;2*3-5,9H,6-8H2,1-2H3;2*4-6,8H,3,7H2,1-2H3;3-7H,1-2H3,(H,12,13,14);3-8H,1-2H3;4*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;11*1H4
InChIKeyATJTYVQLBZXIRW-UHFFFAOYSA-N
XLogP74.15
TPSA417.34 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003980.77
LogP ≤ 574.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

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3,21-dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
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azetidin-1-yl-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-tert-butylpiperazin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;N-(2-hydroxyethyl)-6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157122228
CID 157126147
CID 157126147
3,21-Dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
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4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;8-tert-butylquinoline
CID 157202481
2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran
CID 157285800
CID 157289620
CID 157289620
[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157290010
6-tert-butyl-3H-1-benzofuran-2-one;6-tert-butyl-1,3-dihydroindol-2-one;3-tert-butylisoquinoline;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole;6-tert-butyl-2-phenyl-1H-benzimidazole;5-tert-butyl-2-phenyl-1,3-benzoxazole;7-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole
CID 157371419
3,21-Dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine
CID 157386035

Frequently Asked Questions

What is the IUPAC name of methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 157224544) is methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is C.C.C.C.C.C.C.C.C.C.C.C=C1C=Cc2cccc(C(C)C)c2C1.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2c(cccc2C(C)C)O1.C=C1Cc2cccc(C(C)C)c2O1.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2ocnc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c(=O)[nH]cnc12.CC(C)c1cccc2c1C(=O)CC=C2.CC(C)c1cccc2c1C(=O)CC=N2.CC(C)c1cccc2c1CCCCO2.CC(C)c1cccc2c1CNCC2.CC(C)c1cccc2c1COCCO2.CC(C)c1cccc2c1OCCOC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ocnc12.CC(C)c1ccnc2[nH]ccc12.
What is the InChIKey of methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ATJTYVQLBZXIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H14O.C13H18O.C12H13NO.2C12H15N.C12H17N.2C12H16O2.2C12H14O.C11H12N2O.C11H12N2.4C11H13N.2C10H12N2.3C10H11NO.11CH4/c1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-9(2)11-7-3-5-10-6-4-8-12(14)13(10)11;1-10(2)11-7-5-8-13-12(11)6-3-4-9-14-13;1-8(2)9-4-3-5-10-12(9)11(14)6-7-13-10;2*1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)10-4-3-5-12-11(10)8-13-6-7-14-12;1-9(2)11-5-3-4-10-8-13-6-7-14-12(10)11;1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-8(2)11-6-4-5-10-7-9(3)13-12(10)11;1-7(2)8-4-3-5-9-10(8)12-6-13-11(9)14;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;;;;;;;;;;;/h4-8,10H,3,9H2,1-2H3;3-7,9H,8H2,1-2H3;5,7-8,10H,3-4,6,9H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;2*3-5,9H,6-8H2,1-2H3;2*4-6,8H,3,7H2,1-2H3;3-7H,1-2H3,(H,12,13,14);3-8H,1-2H3;4*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;11*1H4.
What are the key properties of methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 3980.77 g/mol, XLogP of 74.15, 22 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 157224544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).