1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine

C223H307N21O4 — CID 159336539

IUPAC1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine
SMILESCC(C)C1=CCc2ccc(C(C)C)cc21.CC(C)C1=CCc2ccc(C(C)C)nc21.CC(C)C1=NCc2ccc(C(C)C)cc21.CC(C)c1cc2c(ccn2C(C)C)cn1.CC(C)c1ccc2c(=O)[nH]n(C(C)C)c2c1.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)C2.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)C2.CC(C)c1ccc2c(c1)N(C(C)C)CCCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1ccc2cccc(C(C)C)c2c1.CC(C)c1ccc2ccn(C(C)C)c2c1.CC(C)c1ccc2ccn(C(C)C)c2n1.CC(C)c1ccc2cnn(C(C)C)c2c1.CC(C)c1ccc2nccc(C(C)C)c2c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1ccc2nnn(C(C)C)c2c1
InChIInChI=1S/C16H25N.C16H20.C15H19N.C15H20.2C14H19NO.C14H21NO.3C14H19N.C13H18N2O.4C13H18N2.C12H17N3/c1-12(2)15-9-8-14-7-5-6-10-17(13(3)4)16(14)11-15;1-11(2)14-9-8-13-6-5-7-15(12(3)4)16(13)10-14;1-10(2)12-5-6-15-14(9-12)13(11(3)4)7-8-16-15;1-10(2)13-6-5-12-7-8-14(11(3)4)15(12)9-13;2*1-9(2)11-5-6-12-8-14(16)15(10(3)4)13(12)7-11;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-9(2)12-7-5-11-6-8-13(10(3)4)15-14(11)12;1-9(2)11-5-6-12-8-15-14(10(3)4)13(12)7-11;1-10(2)13-6-5-12-7-8-15(11(3)4)14(12)9-13;1-8(2)10-5-6-11-12(7-10)15(9(3)4)14-13(11)16;1-9(2)12-7-13-11(8-14-12)5-6-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-5-6-12-8-14-15(10(3)4)13(12)7-11;1-9(2)12-6-5-11-7-8-15(10(3)4)13(11)14-12;1-8(2)10-5-6-11-12(7-10)15(9(3)4)14-13-11/h8-9,11-13H,5-7,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-6,8-11H,7H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;6-10H,5H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-11H,1-4H3;5-9H,1-4H3,(H,14,16);4*5-10H,1-4H3;5-9H,1-4H3
InChIKeyLFPPQXRSEHCHTQ-UHFFFAOYSA-N
MW3346.05 g/mol
LogP61.01
Rot. Bonds32

About 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine

1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 159336539) has the molecular formula C223H307N21O4 and a molecular weight of 3346.05 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID159336539
Molecular FormulaC223H307N21O4
Molecular Weight3346.05 g/mol
Exact Mass3343.45
IUPAC Name1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine
SMILESCC(C)C1=CCc2ccc(C(C)C)cc21.CC(C)C1=CCc2ccc(C(C)C)nc21.CC(C)C1=NCc2ccc(C(C)C)cc21.CC(C)c1cc2c(ccn2C(C)C)cn1.CC(C)c1ccc2c(=O)[nH]n(C(C)C)c2c1.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)C2.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)C2.CC(C)c1ccc2c(c1)N(C(C)C)CCCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1ccc2cccc(C(C)C)c2c1.CC(C)c1ccc2ccn(C(C)C)c2c1.CC(C)c1ccc2ccn(C(C)C)c2n1.CC(C)c1ccc2cnn(C(C)C)c2c1.CC(C)c1ccc2nccc(C(C)C)c2c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1ccc2nnn(C(C)C)c2c1
InChIInChI=1S/C16H25N.C16H20.C15H19N.C15H20.2C14H19NO.C14H21NO.3C14H19N.C13H18N2O.4C13H18N2.C12H17N3/c1-12(2)15-9-8-14-7-5-6-10-17(13(3)4)16(14)11-15;1-11(2)14-9-8-13-6-5-7-15(12(3)4)16(13)10-14;1-10(2)12-5-6-15-14(9-12)13(11(3)4)7-8-16-15;1-10(2)13-6-5-12-7-8-14(11(3)4)15(12)9-13;2*1-9(2)11-5-6-12-8-14(16)15(10(3)4)13(12)7-11;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-9(2)12-7-5-11-6-8-13(10(3)4)15-14(11)12;1-9(2)11-5-6-12-8-15-14(10(3)4)13(12)7-11;1-10(2)13-6-5-12-7-8-15(11(3)4)14(12)9-13;1-8(2)10-5-6-11-12(7-10)15(9(3)4)14-13(11)16;1-9(2)12-7-13-11(8-14-12)5-6-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-5-6-12-8-14-15(10(3)4)13(12)7-11;1-9(2)12-6-5-11-7-8-15(10(3)4)13(11)14-12;1-8(2)10-5-6-11-12(7-10)15(9(3)4)14-13-11/h8-9,11-13H,5-7,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-6,8-11H,7H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;6-10H,5H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-11H,1-4H3;5-9H,1-4H3,(H,14,16);4*5-10H,1-4H3;5-9H,1-4H3
InChIKeyLFPPQXRSEHCHTQ-UHFFFAOYSA-N
XLogP61.01
TPSA239.18 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003346.05
LogP ≤ 561.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine with MolForge

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Related Compounds

6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;methane;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline
CID 157450371
1-propan-2-yl-6-[4-(6-propan-2-ylpyrrolo[3,2-c]pyridin-1-yl)pentan-2-yl]-2H-indazol-3-one
CID 154959657
4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline
CID 159237336
3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one
CID 157131307
6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole
CID 160611726
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 162246574
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
6-(difluoromethyl)-1-propan-2-ylindole;6-fluoro-1-propan-2-ylindole;1-methyl-7-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridin-2-one;3-methyl-7-propan-2-yl-5H-cyclopenta[c]pyridine;2-methyl-5-propan-2-yl-7H-cyclopenta[c]pyridin-3-one;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-2-amine;7-propan-2-yl-1H-indole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 162056718
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene
CID 163889235
7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
CID 129157098
5-tert-butyl-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;2,5-di(propan-2-yl)-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 159136896
1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
CID 135200255

Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine (CID 159336539) is 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine is CC(C)C1=CCc2ccc(C(C)C)cc21.CC(C)C1=CCc2ccc(C(C)C)nc21.CC(C)C1=NCc2ccc(C(C)C)cc21.CC(C)c1cc2c(ccn2C(C)C)cn1.CC(C)c1ccc2c(=O)[nH]n(C(C)C)c2c1.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)C2.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)C2.CC(C)c1ccc2c(c1)N(C(C)C)CCCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1ccc2cccc(C(C)C)c2c1.CC(C)c1ccc2ccn(C(C)C)c2c1.CC(C)c1ccc2ccn(C(C)C)c2n1.CC(C)c1ccc2cnn(C(C)C)c2c1.CC(C)c1ccc2nccc(C(C)C)c2c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1ccc2nnn(C(C)C)c2c1.
What is the InChIKey of 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is LFPPQXRSEHCHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C16H20.C15H19N.C15H20.2C14H19NO.C14H21NO.3C14H19N.C13H18N2O.4C13H18N2.C12H17N3/c1-12(2)15-9-8-14-7-5-6-10-17(13(3)4)16(14)11-15;1-11(2)14-9-8-13-6-5-7-15(12(3)4)16(13)10-14;1-10(2)12-5-6-15-14(9-12)13(11(3)4)7-8-16-15;1-10(2)13-6-5-12-7-8-14(11(3)4)15(12)9-13;2*1-9(2)11-5-6-12-8-14(16)15(10(3)4)13(12)7-11;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-9(2)12-7-5-11-6-8-13(10(3)4)15-14(11)12;1-9(2)11-5-6-12-8-15-14(10(3)4)13(12)7-11;1-10(2)13-6-5-12-7-8-15(11(3)4)14(12)9-13;1-8(2)10-5-6-11-12(7-10)15(9(3)4)14-13(11)16;1-9(2)12-7-13-11(8-14-12)5-6-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-5-6-12-8-14-15(10(3)4)13(12)7-11;1-9(2)12-6-5-11-7-8-15(10(3)4)13(11)14-12;1-8(2)10-5-6-11-12(7-10)15(9(3)4)14-13-11/h8-9,11-13H,5-7,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-6,8-11H,7H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;6-10H,5H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-11H,1-4H3;5-9H,1-4H3,(H,14,16);4*5-10H,1-4H3;5-9H,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine?
1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 3346.05 g/mol, XLogP of 61.01, 32 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzotriazole;2,7-di(propan-2-yl)-5H-cyclopenta[b]pyridine;4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;1,6-di(propan-2-yl)indazole;1,6-di(propan-2-yl)-2H-indazol-3-one;3,5-di(propan-2-yl)-1H-indene;1,6-di(propan-2-yl)indole;bis(1,6-di(propan-2-yl)-3H-indol-2-one);3,5-di(propan-2-yl)-1H-isoindole;1,7-di(propan-2-yl)naphthalene;1,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,6-di(propan-2-yl)pyrrolo[3,2-c]pyridine;4,6-di(propan-2-yl)quinoline;1,8-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 159336539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).