ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

C262H394N20O2 — CID 162074122

IUPACethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESC=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2ccc(C(C)C)cc2N1.C=C1Cc2cccc(C(C)C)c2N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2occc12
InChIInChI=1S/4C12H15N.2C12H16.2C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.2C11H12O.4C10H12N2.20C2H6/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;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;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;20*1-2/h2*4-5,7-8,13H,3,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3,(H,11,12);20*1-2H3
InChIKeyZBMCXKIPDAJGFI-UHFFFAOYSA-N
MW3856.17 g/mol
LogP82.71
Rot. Bonds20

About ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (PubChem CID 162074122) has the molecular formula C262H394N20O2 and a molecular weight of 3856.17 g/mol. Its IUPAC name is ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.

Molecular Properties

Compound Nameethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
PubChem CID162074122
Molecular FormulaC262H394N20O2
Molecular Weight3856.17 g/mol
Exact Mass3853.13
IUPAC Nameethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESC=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2ccc(C(C)C)cc2N1.C=C1Cc2cccc(C(C)C)c2N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2occc12
InChIInChI=1S/4C12H15N.2C12H16.2C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.2C11H12O.4C10H12N2.20C2H6/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;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;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;20*1-2/h2*4-5,7-8,13H,3,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3,(H,11,12);20*1-2H3
InChIKeyZBMCXKIPDAJGFI-UHFFFAOYSA-N
XLogP82.71
TPSA300.73 Ų
H-Bond Donors15
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003856.17
LogP ≤ 582.71
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1014

Analyze ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole with MolForge

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Related Compounds

methyl N-[(1R)-2-[(2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67682380
methyl N-[(1R)-2-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67682413
methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67682880
methyl {(2S)-1-[(2S,5 S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
CID 86688381
methyl N-[(2S)-1-[(2S)-2-[5-[3-fluoro-2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 53339877
(2S)-2-amino-1-[(2S)-2-[7-[5-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-fluoro-1-benzofuran-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 68274171
methyl N-[(2S)-1-[(2S)-2-[7-[5-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-fluoro-1-benzofuran-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89638930
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 159083158
1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 160597803
5-tert-butyl-3,3-difluoro-1H-indol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-tert-butyl-4-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-6-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-7-fluoro-1,3-dihydroindol-2-one;(3Z)-5-tert-butyl-3-(furan-2-ylmethylidene)-1H-indol-2-one;(3E)-5-tert-butyl-3-(furan-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-tert-butyl-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one;(3E)-5-tert-butyl-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one;5-tert-butyl-3-methyl-1H-benzimidazol-2-one;5-tert-butyl-3-methyl-1,3-dihydroindol-2-one;5-tert-butylspiro[1H-indole-3,1'-cyclopropane]-2-one;methane
CID 161548805
lithium;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[10-(dicyanomethylidene)-2,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;quinolin-1-ium-8-olate
CID 161597464
tris(1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione);1-(3H-benzimidazol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 161860962

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The IUPAC name of ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (CID 162074122) is ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.
What is the SMILES notation for ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The canonical SMILES for ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2ccc(C(C)C)cc2N1.C=C1Cc2cccc(C(C)C)c2N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2occc12.
What is the InChIKey of ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The InChIKey is ZBMCXKIPDAJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.2C12H16.2C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.2C11H12O.4C10H12N2.20C2H6/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;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;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;20*1-2/h2*4-5,7-8,13H,3,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3,(H,11,12);20*1-2H3.
What are the key properties of ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole has a molecular weight of 3856.17 g/mol, XLogP of 82.71, 20 rotatable bonds, 15 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-3H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is sourced from PubChem (CID 162074122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).