2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

C245H268N18O2S2 — CID 159294253

IUPAC2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nccc2ccccc12
InChIInChI=1S/2C13H14.13C12H13N.C11H13N.C11H12O.C11H12S.C10H12N2.C10H11NO.C10H11NS/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h2*3-10H,1-2H3;13*3-9H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyLANAIQBBMYNPMO-UHFFFAOYSA-N
MW3561.10 g/mol
LogP71.51
Rot. Bonds21

About 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (PubChem CID 159294253) has the molecular formula C245H268N18O2S2 and a molecular weight of 3561.10 g/mol. Its IUPAC name is 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.

Molecular Properties

Compound Name2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
PubChem CID159294253
Molecular FormulaC245H268N18O2S2
Molecular Weight3561.10 g/mol
Exact Mass3558.09
IUPAC Name2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nccc2ccccc12
InChIInChI=1S/2C13H14.13C12H13N.C11H13N.C11H12O.C11H12S.C10H12N2.C10H11NO.C10H11NS/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h2*3-10H,1-2H3;13*3-9H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyLANAIQBBMYNPMO-UHFFFAOYSA-N
XLogP71.51
TPSA264.10 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003561.10
LogP ≤ 571.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)
CID 158117089
2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indene;2-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;bis(3-propan-2-ylquinoline);6-propan-2-ylquinoline;2-propan-2-ylthiophene
CID 158834837
cumene;methane;1-methyl-2-propan-2-ylbenzimidazole;bis(2-propan-2-yl-1H-benzimidazole);bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylpyrazine;tetrakis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;tris(2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine)
CID 160848703
cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 159417231
1,7-di(propan-2-yl)isoquinoline;3,5-di(propan-2-yl)isoquinoline;5,6-di(propan-2-yl)isoquinoline;1,2-di(propan-2-yl)naphthalene;1,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyrido[2,3-b]pyrazine;2,4-di(propan-2-yl)quinazoline;4,6-di(propan-2-yl)quinazoline;tris(2,3-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)quinoline;4,6-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoline;bis(2,3-di(propan-2-yl)quinoxaline);2,3-di(propan-2-yl)thieno[2,3-b]pyrazine
CID 161304105
1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene
CID 160944265
5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(2,2,2-trifluoroethyl)pyridine
CID 159749726
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
methylphosphane;4-propan-2-ylisoquinoline;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline
CID 162017886
bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-ylthiophene
CID 167682167
ethane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 158715890
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene
CID 162107296

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The IUPAC name of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (CID 159294253) is 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.
What is the SMILES notation for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The canonical SMILES for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nccc2ccccc12.
What is the InChIKey of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The InChIKey is LANAIQBBMYNPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14.13C12H13N.C11H13N.C11H12O.C11H12S.C10H12N2.C10H11NO.C10H11NS/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h2*3-10H,1-2H3;13*3-9H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3.
What are the key properties of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline has a molecular weight of 3561.10 g/mol, XLogP of 71.51, 21 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is sourced from PubChem (CID 159294253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).