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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline

C163H185Cl4N19O6S2 — CID 158069535

IUPAC4-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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1cc(O)c2[nH]ccc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.COc1ccc2cc(C(C)C)ccc2n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C13H15NO.C13H15N.C12H13N.C11H12ClNO.2C11H14N2.C11H13NO.C11H13N.C10H11ClN2.C10H10ClNO.C10H10ClNS.C10H12N2.2C10H11NO.C10H11NS/c1-9(2)10-4-6-12-11(8-10)5-7-13(14-12)15-3;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-12-11(8)10(13)6-9;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;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;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/h4-9H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;3-6,13-14H,1-2H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyFLQSRRGUNADBIN-UHFFFAOYSA-N
MW2712.35 g/mol
LogP49.05
Rot. Bonds16

About 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline

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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline (PubChem CID 158069535) has the molecular formula C163H185Cl4N19O6S2 and a molecular weight of 2712.35 g/mol. Its IUPAC name is 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline.

Molecular Properties

Compound Name4-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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
PubChem CID158069535
Molecular FormulaC163H185Cl4N19O6S2
Molecular Weight2712.35 g/mol
Exact Mass2708.30
IUPAC Name4-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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1cc(O)c2[nH]ccc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.COc1ccc2cc(C(C)C)ccc2n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C13H15NO.C13H15N.C12H13N.C11H12ClNO.2C11H14N2.C11H13NO.C11H13N.C10H11ClN2.C10H10ClNO.C10H10ClNS.C10H12N2.2C10H11NO.C10H11NS/c1-9(2)10-4-6-12-11(8-10)5-7-13(14-12)15-3;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-12-11(8)10(13)6-9;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;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;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/h4-9H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;3-6,13-14H,1-2H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyFLQSRRGUNADBIN-UHFFFAOYSA-N
XLogP49.05
TPSA343.46 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002712.35
LogP ≤ 549.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;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;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one
CID 157262557
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;2-chloro-6-propan-2-yl-1H-indol-4-ol;8-chloro-6-propan-2-ylquinoline;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
CID 157265856
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;6-tert-butyl-4-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-4-methylcyclohexa-2,4-dien-1-one;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine
CID 157348655
6-chloro-2-methyl-1-benzofuran;5-chloro-2-(5-methylthiophen-2-yl)-1,3-thiazole;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
CID 157385358
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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline
CID 157450097
2-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-1,3-benzoxazol-2-amine;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butylcyclohexa-2,4-dien-1-one;3-tert-butyl-7H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine;3-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
CID 157679099
4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;4-chloro-2-methyl-6-propan-2-yl-1,3-benzoxazole;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;7-chloro-5-propan-2-yl-1H-indazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;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;5-propan-2-yl-1H-indazole
CID 157687464
propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate
CID 158096423
4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline
CID 158539279
4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 158604740
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;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 158609016

Frequently Asked Questions

What is the IUPAC name of 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline?
The IUPAC name of 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline (CID 158069535) is 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline.
What is the SMILES notation for 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline?
The canonical SMILES for 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline is CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1cc(O)c2[nH]ccc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.COc1ccc2cc(C(C)C)ccc2n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline?
The InChIKey is FLQSRRGUNADBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C13H15N.C12H13N.C11H12ClNO.2C11H14N2.C11H13NO.C11H13N.C10H11ClN2.C10H10ClNO.C10H10ClNS.C10H12N2.2C10H11NO.C10H11NS/c1-9(2)10-4-6-12-11(8-10)5-7-13(14-12)15-3;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-12-11(8)10(13)6-9;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;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;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/h4-9H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;3-6,13-14H,1-2H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3.
What are the key properties of 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline?
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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline has a molecular weight of 2712.35 g/mol, XLogP of 49.05, 16 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;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-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline is sourced from PubChem (CID 158069535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).