4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole

C188H217Cl7N28O5S3 — CID 165060201

IUPAC4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole
SMILESCC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1cc(O)c2nc[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.Cc1[nH]nc2c(Cl)cc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2c(Cl)cc(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C11H13ClN2.C11H12ClNO.C11H12ClNS.4C11H14N2.C11H13N.2C10H11ClN2.C10H10ClNO.C10H10ClNS.C10H12N2O.2C10H12N2.2C10H11NO.C10H11NS/c1-6(2)8-4-9-7(3)13-14-11(9)10(12)5-8;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-6(2)8-4-9(12)11-10(5-8)14-7(3)13-11;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-6(2)7-3-8-10(9(13)4-7)12-5-11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-6H,1-3H3,(H,13,14);3-6,13-14H,1-2H3;4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;3-6,13H,1-2H3,(H,11,12);2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyRBOQDMCFFMSNGG-UHFFFAOYSA-N
MW3293.37 g/mol
LogP58.10
Rot. Bonds18

About 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole

4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole (PubChem CID 165060201) has the molecular formula C188H217Cl7N28O5S3 and a molecular weight of 3293.37 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole
PubChem CID165060201
Molecular FormulaC188H217Cl7N28O5S3
Molecular Weight3293.37 g/mol
Exact Mass3287.46
IUPAC Name4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole
SMILESCC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1cc(O)c2nc[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.Cc1[nH]nc2c(Cl)cc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2c(Cl)cc(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C11H13ClN2.C11H12ClNO.C11H12ClNS.4C11H14N2.C11H13N.2C10H11ClN2.C10H10ClNO.C10H10ClNS.C10H12N2O.2C10H12N2.2C10H11NO.C10H11NS/c1-6(2)8-4-9-7(3)13-14-11(9)10(12)5-8;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-6(2)8-4-9(12)11-10(5-8)14-7(3)13-11;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-6(2)7-3-8-10(9(13)4-7)12-5-11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-6H,1-3H3,(H,13,14);3-6,13-14H,1-2H3;4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;3-6,13H,1-2H3,(H,11,12);2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyRBOQDMCFFMSNGG-UHFFFAOYSA-N
XLogP58.10
TPSA464.74 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003293.37
LogP ≤ 558.10
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole with MolForge

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Related Compounds

7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol
CID 161358961
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
CID 164963078
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 165099029
1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline
CID 165062456
4-chloro-6-propan-2-yl-1H-benzimidazole
CID 137430140
ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 162021600
6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole
CID 159603782
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
6-tert-butyl-1H-benzimidazole;2-tert-butylbenzoic acid;4-tert-butylbenzoic acid;2-tert-butylbenzonitrile;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-ethynylbenzene;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;1-(3-tert-butylphenyl)ethanone;bis(methyl 2-tert-butylbenzoate);methyl 3-tert-butylbenzoate;methyl 4-tert-butylbenzoate
CID 159524148
4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline
CID 160882298
6-propan-2-yl-1,3-benzoxazole
CID 21354846
CID 157410638
CID 157410638

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
The IUPAC name of 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole (CID 165060201) is 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole.
What is the SMILES notation for 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
The canonical SMILES for 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole is CC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1cc(O)c2nc[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.Cc1[nH]nc2c(Cl)cc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2c(Cl)cc(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
The InChIKey is RBOQDMCFFMSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.C11H12ClNO.C11H12ClNS.4C11H14N2.C11H13N.2C10H11ClN2.C10H10ClNO.C10H10ClNS.C10H12N2O.2C10H12N2.2C10H11NO.C10H11NS/c1-6(2)8-4-9-7(3)13-14-11(9)10(12)5-8;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-6(2)8-4-9(12)11-10(5-8)14-7(3)13-11;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-6(2)7-3-8-10(9(13)4-7)12-5-11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-6H,1-3H3,(H,13,14);3-6,13-14H,1-2H3;4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;3-6,13H,1-2H3,(H,11,12);2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole has a molecular weight of 3293.37 g/mol, XLogP of 58.10, 18 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole is sourced from PubChem (CID 165060201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).