1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

C164H202N28OS — CID 159870155

IUPAC1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1cc2c(cn1)CCC2.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(n1)CCCC2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc2ccccn12.CC(C)c1nccc2occc12.CC(C)c1nccc2scnc12.CC(C)c1nccn2cccc12.CC(C)c1nccn2ccnc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21
InChIInChI=1S/2C12H17N.C11H15N.2C11H13N.7C10H12N2.C10H11NO.2C9H11N3.C9H10N2S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)10-9-4-3-6-12(9)7-5-11-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-11-7-9-5-3-4-6-12(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-4-6-12-9(8)3-5-11-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-6(2)8-9-7(3-4-10-8)12-5-11-9/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3
InChIKeyNSFXVXJBJFOROK-UHFFFAOYSA-N
MW2613.68 g/mol
LogP42.90
Rot. Bonds16

About 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 159870155) has the molecular formula C164H202N28OS and a molecular weight of 2613.68 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
PubChem CID159870155
Molecular FormulaC164H202N28OS
Molecular Weight2613.68 g/mol
Exact Mass2611.63
IUPAC Name1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1cc2c(cn1)CCC2.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(n1)CCCC2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc2ccccn12.CC(C)c1nccc2occc12.CC(C)c1nccc2scnc12.CC(C)c1nccn2cccc12.CC(C)c1nccn2ccnc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21
InChIInChI=1S/2C12H17N.C11H15N.2C11H13N.7C10H12N2.C10H11NO.2C9H11N3.C9H10N2S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)10-9-4-3-6-12(9)7-5-11-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-11-7-9-5-3-4-6-12(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-4-6-12-9(8)3-5-11-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-6(2)8-9-7(3-4-10-8)12-5-11-9/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3
InChIKeyNSFXVXJBJFOROK-UHFFFAOYSA-N
XLogP42.90
TPSA327.34 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002613.68
LogP ≤ 542.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
CID 141084873
2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 157049983
bis(1H-benzimidazole);1-benzofuran;1-benzothiophene;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine
CID 157054861
1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;bis(5-methyl-1H-pyrazolo[5,4-c]pyridine);6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157107655
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;1H-imidazole;1H-indole;3H-indole;methane;methyl 2-(4-phenylphenyl)acetate;1-methyl-4-phenyltriazole;naphthalene;piperidine;pyridine;quinoline
CID 157158833
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;2H-benzotriazole;1,1'-biphenyl;1H-imidazole;1H-indole;methane;1-methyl-4-phenyltriazole;naphthalene;2-(4-phenylphenyl)acetic acid;piperidine;pyridine;quinoline;5,6,7,8-tetrahydroquinoline
CID 157182582
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;1H-imidazole;1H-indole;3H-indole;methyl 2-(4-phenylphenyl)acetate;1-methyl-4-phenyltriazole;naphthalene;piperidine;bis(pyridine);quinoline
CID 157200309
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;ethane;4-(3-fluorophenyl)-1-methyltriazole;1H-imidazole;1H-indole;3H-indole;methane;1-methyl-4-phenyltriazole;bis(1-methyltriazole);naphthalene;piperidine;pyridine;pyrimidine;1H-pyrimidine-2,4-dione;quinoline
CID 157220548
1-benzofuran;1H-imidazole;methane;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole
CID 157261225

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (CID 159870155) is 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is CC(C)c1cc2c(cn1)CCC2.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(n1)CCCC2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc2ccccn12.CC(C)c1nccc2occc12.CC(C)c1nccc2scnc12.CC(C)c1nccn2cccc12.CC(C)c1nccn2ccnc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is NSFXVXJBJFOROK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.C11H15N.2C11H13N.7C10H12N2.C10H11NO.2C9H11N3.C9H10N2S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)10-9-4-3-6-12(9)7-5-11-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-11-7-9-5-3-4-6-12(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-4-6-12-9(8)3-5-11-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-6(2)8-9-7(3-4-10-8)12-5-11-9/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3.
What are the key properties of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 2613.68 g/mol, XLogP of 42.90, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 159870155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).