1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline

C160H180N24O10 — CID 157383618

IUPAC1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(=O)N1CCc2cc(C)ccc21.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCNC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2nccn2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2oc(=O)[nH]c2c1.Cc1cccc2c1CCN(C)C2
InChIInChI=1S/C11H13NO.C11H15N.C10H11NO.C10H11N.C10H13N.C9H10N2.2C9H11N.2C9H9N.C9H10O2.C9H10O.2C8H9N3.C8H8N2O.C8H8N2.C8H7NO2.C5H6N2O2/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13;1-9-4-3-5-10-8-12(2)7-6-11(9)10;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-2-3-10-7-11-5-4-9(10)6-8;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-6-7(4-5)11-8(9)10-6;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-6-7(4-5)10-8(11)9-6;1-7-2-3-8-9-4-5-10(8)6-7;1-5-2-3-7-6(4-5)9-8(10)11-7;1-3-2-6-5(9)7-4(3)8/h3-4,7H,5-6H2,1-2H3;3-5H,6-8H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2-3,6,11H,4-5,7H2,1H3;3-6H,1-2H3;2-4,10H,5-6H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10,11);2-6H,1H3;2-4H,1H3,(H,9,10);2H,1H3,(H2,6,7,8,9)
InChIKeyBLECAXBEIGODNG-UHFFFAOYSA-N
MW2599.36 g/mol
LogP30.20
Rot. Bonds

About 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline

1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 157383618) has the molecular formula C160H180N24O10 and a molecular weight of 2599.36 g/mol. Its IUPAC name is 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID157383618
Molecular FormulaC160H180N24O10
Molecular Weight2599.36 g/mol
Exact Mass2597.43
IUPAC Name1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(=O)N1CCc2cc(C)ccc21.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCNC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2nccn2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2oc(=O)[nH]c2c1.Cc1cccc2c1CCN(C)C2
InChIInChI=1S/C11H13NO.C11H15N.C10H11NO.C10H11N.C10H13N.C9H10N2.2C9H11N.2C9H9N.C9H10O2.C9H10O.2C8H9N3.C8H8N2O.C8H8N2.C8H7NO2.C5H6N2O2/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13;1-9-4-3-5-10-8-12(2)7-6-11(9)10;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-2-3-10-7-11-5-4-9(10)6-8;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-6-7(4-5)11-8(9)10-6;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-6-7(4-5)10-8(11)9-6;1-7-2-3-8-9-4-5-10(8)6-7;1-5-2-3-7-6(4-5)9-8(10)11-7;1-3-2-6-5(9)7-4(3)8/h3-4,7H,5-6H2,1-2H3;3-5H,6-8H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2-3,6,11H,4-5,7H2,1H3;3-6H,1-2H3;2-4,10H,5-6H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10,11);2-6H,1H3;2-4H,1H3,(H,9,10);2H,1H3,(H2,6,7,8,9)
InChIKeyBLECAXBEIGODNG-UHFFFAOYSA-N
XLogP30.20
TPSA449.04 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002599.36
LogP ≤ 530.20
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-6-yl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;2-methoxy-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 159433443
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160869634
4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 161460794
1,3-dimethyl-5-propan-2-yl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 162002068
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazol-6-yl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164986662
1-[7-[[(3S)-4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 170735849
CID 157165445
CID 157165445
6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157231809
1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole
CID 157277289
7-tert-butyl-4H-chromen-3-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butylisoindole-1,3-dione;8-tert-butyl-3-methylidene-4H-1,4-benzoxazine;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-prop-2-enylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157338514
1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one
CID 157342185
CID 157461780
CID 157461780

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline (CID 157383618) is 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline is CC(=O)N1CCc2cc(C)ccc21.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCNC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2nccn2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2oc(=O)[nH]c2c1.Cc1cccc2c1CCN(C)C2.
What is the InChIKey of 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BLECAXBEIGODNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H15N.C10H11NO.C10H11N.C10H13N.C9H10N2.2C9H11N.2C9H9N.C9H10O2.C9H10O.2C8H9N3.C8H8N2O.C8H8N2.C8H7NO2.C5H6N2O2/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13;1-9-4-3-5-10-8-12(2)7-6-11(9)10;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-2-3-10-7-11-5-4-9(10)6-8;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-6-7(4-5)11-8(9)10-6;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-6-7(4-5)10-8(11)9-6;1-7-2-3-8-9-4-5-10(8)6-7;1-5-2-3-7-6(4-5)9-8(10)11-7;1-3-2-6-5(9)7-4(3)8/h3-4,7H,5-6H2,1-2H3;3-5H,6-8H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2-3,6,11H,4-5,7H2,1H3;3-6H,1-2H3;2-4,10H,5-6H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10,11);2-6H,1H3;2-4H,1H3,(H,9,10);2H,1H3,(H2,6,7,8,9).
What are the key properties of 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline?
1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 2599.36 g/mol, XLogP of 30.20, 0 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 157383618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).