6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole

C235H317N25O7S4 — CID 158518432

IUPAC6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole
SMILESCC(C)C1=C(C(C)C)C2ON=CC2C=C1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1C(C)C.CC(C)c1ccc2[nH]ccc2c1C(C)C.CC(C)c1ccc2[nH]cnc2c1C(C)C.CC(C)c1ccc2[nH]cnc2c1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1ccc2cc[nH]c2c1C(C)C.CC(C)c1ccc2cn[nH]c2c1C(C)C.CC(C)c1ccc2cnsc2c1C(C)C.CC(C)c1ccc2conc2c1C(C)C.CC(C)c1ccc2csnc2c1C(C)C.CC(C)c1ccc2n[nH]nc2c1C(C)C.CC(C)c1ccc2ncoc2c1C(C)C.CC(C)c1ccc2ncsc2c1C(C)C.CC(C)c1ccc2nocc2c1C(C)C.CC(C)c1ccc2ocnc2c1C(C)C.CC(C)c1ccc2oncc2c1C(C)C.CC(C)c1ccc2scnc2c1C(C)C
InChIInChI=1S/2C14H19N.C13H18N2O.4C13H18N2.5C13H17NO.C13H19NO.4C13H17NS.C12H17N3/c1-9(2)11-5-6-13-12(7-8-15-13)14(11)10(3)4;1-9(2)12-6-5-11-7-8-15-14(11)13(12)10(3)4;1-7(2)9-5-6-10-12(11(9)8(3)4)15-13(16)14-10;1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;2*1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-8(2)10-5-6-12-11(7-15-14-12)13(10)9(3)4;1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;1-8(2)10-5-6-11-13(14-7-15-11)12(10)9(3)4;1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-15-14-13(10)12(11)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-8(2)10-5-6-11-13(14-7-15-11)12(10)9(3)4;1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-15-14-13(10)12(11)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-7(2)9-5-6-10-12(14-15-13-10)11(9)8(3)4/h2*5-10,15H,1-4H3;5-8H,1-4H3,(H2,14,15,16);4*5-9H,1-4H3,(H,14,15);5*5-9H,1-4H3;5-10,13H,1-4H3;4*5-9H,1-4H3;5-8H,1-4H3,(H,13,14,15)
InChIKeyHLXLKTSAPIOZQR-UHFFFAOYSA-N
MW3732.56 g/mol
LogP72.09
Rot. Bonds36

About 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole

6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole (PubChem CID 158518432) has the molecular formula C235H317N25O7S4 and a molecular weight of 3732.56 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole
PubChem CID158518432
Molecular FormulaC235H317N25O7S4
Molecular Weight3732.56 g/mol
Exact Mass3729.41
IUPAC Name6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole
SMILESCC(C)C1=C(C(C)C)C2ON=CC2C=C1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1C(C)C.CC(C)c1ccc2[nH]ccc2c1C(C)C.CC(C)c1ccc2[nH]cnc2c1C(C)C.CC(C)c1ccc2[nH]cnc2c1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1ccc2cc[nH]c2c1C(C)C.CC(C)c1ccc2cn[nH]c2c1C(C)C.CC(C)c1ccc2cnsc2c1C(C)C.CC(C)c1ccc2conc2c1C(C)C.CC(C)c1ccc2csnc2c1C(C)C.CC(C)c1ccc2n[nH]nc2c1C(C)C.CC(C)c1ccc2ncoc2c1C(C)C.CC(C)c1ccc2ncsc2c1C(C)C.CC(C)c1ccc2nocc2c1C(C)C.CC(C)c1ccc2ocnc2c1C(C)C.CC(C)c1ccc2oncc2c1C(C)C.CC(C)c1ccc2scnc2c1C(C)C
InChIInChI=1S/2C14H19N.C13H18N2O.4C13H18N2.5C13H17NO.C13H19NO.4C13H17NS.C12H17N3/c1-9(2)11-5-6-13-12(7-8-15-13)14(11)10(3)4;1-9(2)12-6-5-11-7-8-15-14(11)13(12)10(3)4;1-7(2)9-5-6-10-12(11(9)8(3)4)15-13(16)14-10;1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;2*1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-8(2)10-5-6-12-11(7-15-14-12)13(10)9(3)4;1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;1-8(2)10-5-6-11-13(14-7-15-11)12(10)9(3)4;1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-15-14-13(10)12(11)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-8(2)10-5-6-11-13(14-7-15-11)12(10)9(3)4;1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-15-14-13(10)12(11)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-7(2)9-5-6-10-12(14-15-13-10)11(9)8(3)4/h2*5-10,15H,1-4H3;5-8H,1-4H3,(H2,14,15,16);4*5-9H,1-4H3,(H,14,15);5*5-9H,1-4H3;5-10,13H,1-4H3;4*5-9H,1-4H3;5-8H,1-4H3,(H,13,14,15)
InChIKeyHLXLKTSAPIOZQR-UHFFFAOYSA-N
XLogP72.09
TPSA439.82 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003732.56
LogP ≤ 572.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;3-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;3-methyl-2H-indazole;6-methyl-1H-indazole
CID 157292221
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 157397906
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;3-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methylthieno[2,3-b]pyridine
CID 158095790
2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-1,2-benzothiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole
CID 158188805
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;1,3-dimethyl-5-(trifluoromethyl)benzene;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 158727015
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;6-methyl-1H-indazole;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;2-methylthieno[2,3-b]pyridine
CID 158749319
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methylthieno[2,3-b]pyridine
CID 161731893
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;1,3-dimethyl-5-(trifluoromethyl)benzene;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 164090390
7-(1,2-benzothiazol-3-yl)-4-(1,3-benzothiazol-2-yl)-5-(1H-benzotriazol-4-yl)-6-(1,2-benzoxazol-3-yl)-1,3-benzoxazole
CID 137161836

Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole?
The IUPAC name of 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole (CID 158518432) is 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole.
What is the SMILES notation for 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole?
The canonical SMILES for 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole is CC(C)C1=C(C(C)C)C2ON=CC2C=C1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1C(C)C.CC(C)c1ccc2[nH]ccc2c1C(C)C.CC(C)c1ccc2[nH]cnc2c1C(C)C.CC(C)c1ccc2[nH]cnc2c1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1ccc2cc[nH]c2c1C(C)C.CC(C)c1ccc2cn[nH]c2c1C(C)C.CC(C)c1ccc2cnsc2c1C(C)C.CC(C)c1ccc2conc2c1C(C)C.CC(C)c1ccc2csnc2c1C(C)C.CC(C)c1ccc2n[nH]nc2c1C(C)C.CC(C)c1ccc2ncoc2c1C(C)C.CC(C)c1ccc2ncsc2c1C(C)C.CC(C)c1ccc2nocc2c1C(C)C.CC(C)c1ccc2ocnc2c1C(C)C.CC(C)c1ccc2oncc2c1C(C)C.CC(C)c1ccc2scnc2c1C(C)C.
What is the InChIKey of 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole?
The InChIKey is HLXLKTSAPIOZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H19N.C13H18N2O.4C13H18N2.5C13H17NO.C13H19NO.4C13H17NS.C12H17N3/c1-9(2)11-5-6-13-12(7-8-15-13)14(11)10(3)4;1-9(2)12-6-5-11-7-8-15-14(11)13(12)10(3)4;1-7(2)9-5-6-10-12(11(9)8(3)4)15-13(16)14-10;1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;2*1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-8(2)10-5-6-12-11(7-15-14-12)13(10)9(3)4;1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;1-8(2)10-5-6-11-13(14-7-15-11)12(10)9(3)4;1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-15-14-13(10)12(11)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-8(2)10-5-6-11-13(14-7-15-11)12(10)9(3)4;1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4;1-8(2)11-6-5-10-7-15-14-13(10)12(11)9(3)4;1-8(2)11-6-5-10-7-14-15-13(10)12(11)9(3)4;1-7(2)9-5-6-10-12(14-15-13-10)11(9)8(3)4/h2*5-10,15H,1-4H3;5-8H,1-4H3,(H2,14,15,16);4*5-9H,1-4H3,(H,14,15);5*5-9H,1-4H3;5-10,13H,1-4H3;4*5-9H,1-4H3;5-8H,1-4H3,(H,13,14,15).
What are the key properties of 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole?
6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole has a molecular weight of 3732.56 g/mol, XLogP of 72.09, 36 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole is sourced from PubChem (CID 158518432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).