2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole

C146H143N43O — CID 159466857

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole
SMILESCCc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.CCc1ncc(C)n2nc(CCc3nc4c5ccccc5ccn4n3)nc12.Cc1cc2c(nc(CCc3nc4c(C)ncc(C)n4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)c12.Cc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.Cc1ncc(C)n2nc(CCc3nc4c5c(ccc4n3C)CC=C5)nc12.Cc1ncc(C)n2nc(CCc3nc4c5occc5ccc4n3C)nc12
InChIInChI=1S/3C22H22N6.C21H20N6.C20H19N7.C20H20N6.C19H18N6O/c1-13-11-18-21(17-8-6-5-7-16(13)17)25-20(27(18)4)10-9-19-24-22-15(3)23-12-14(2)28(22)26-19;1-13-11-16-7-5-6-8-17(16)20-21(13)27(4)19(25-20)10-9-18-24-22-15(3)23-12-14(2)28(22)26-18;1-4-15-13-23-14(2)28-22(15)24-19(26-28)11-12-20-25-21-17-8-6-5-7-16(17)9-10-18(21)27(20)3;1-13-12-22-14(2)27-21(13)23-18(25-27)10-11-19-24-20-16-7-5-4-6-15(16)8-9-17(20)26(19)3;1-3-16-20-23-18(25-27(20)13(2)12-21-16)9-8-17-22-19-15-7-5-4-6-14(15)10-11-26(19)24-17;1-12-11-21-13(2)20-22-17(24-26(12)20)9-10-18-23-19-15-6-4-5-14(15)7-8-16(19)25(18)3;1-11-10-20-12(2)19-21-15(23-25(11)19)6-7-16-22-17-14(24(16)3)5-4-13-8-9-26-18(13)17/h2*5-8,11-12H,9-10H2,1-4H3;5-10,13H,4,11-12H2,1-3H3;4-9,12H,10-11H2,1-3H3;4-7,10-12H,3,8-9H2,1-2H3;4,6-8,11H,5,9-10H2,1-3H3;4-5,8-10H,6-7H2,1-3H3
InChIKeyLVHHRSJKOIYHKT-UHFFFAOYSA-N
MW2516.05 g/mol
LogP24.25
Rot. Bonds23

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole (PubChem CID 159466857) has the molecular formula C146H143N43O and a molecular weight of 2516.05 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole
PubChem CID159466857
Molecular FormulaC146H143N43O
Molecular Weight2516.05 g/mol
Exact Mass2514.25
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole
SMILESCCc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.CCc1ncc(C)n2nc(CCc3nc4c5ccccc5ccn4n3)nc12.Cc1cc2c(nc(CCc3nc4c(C)ncc(C)n4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)c12.Cc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.Cc1ncc(C)n2nc(CCc3nc4c5c(ccc4n3C)CC=C5)nc12.Cc1ncc(C)n2nc(CCc3nc4c5occc5ccc4n3C)nc12
InChIInChI=1S/3C22H22N6.C21H20N6.C20H19N7.C20H20N6.C19H18N6O/c1-13-11-18-21(17-8-6-5-7-16(13)17)25-20(27(18)4)10-9-19-24-22-15(3)23-12-14(2)28(22)26-19;1-13-11-16-7-5-6-8-17(16)20-21(13)27(4)19(25-20)10-9-18-24-22-15(3)23-12-14(2)28(22)26-18;1-4-15-13-23-14(2)28-22(15)24-19(26-28)11-12-20-25-21-17-8-6-5-7-16(17)9-10-18(21)27(20)3;1-13-12-22-14(2)27-21(13)23-18(25-27)10-11-19-24-20-16-7-5-4-6-15(16)8-9-17(20)26(19)3;1-3-16-20-23-18(25-27(20)13(2)12-21-16)9-8-17-22-19-15-7-5-4-6-14(15)10-11-26(19)24-17;1-12-11-21-13(2)20-22-17(24-26(12)20)9-10-18-23-19-15-6-4-5-14(15)7-8-16(19)25(18)3;1-11-10-20-12(2)19-21-15(23-25(11)19)6-7-16-22-17-14(24(16)3)5-4-13-8-9-26-18(13)17/h2*5-8,11-12H,9-10H2,1-4H3;5-10,13H,4,11-12H2,1-3H3;4-9,12H,10-11H2,1-3H3;4-7,10-12H,3,8-9H2,1-2H3;4,6-8,11H,5,9-10H2,1-3H3;4-5,8-10H,6-7H2,1-3H3
InChIKeyLVHHRSJKOIYHKT-UHFFFAOYSA-N
XLogP24.25
TPSA451.81 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds23
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002516.05
LogP ≤ 524.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157119212
CID 157119212
CID 157477470
CID 157477470
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
CID 158344229
CID 158344229
3-[7-[2-(6,7-dimethylcinnolin-3-yl)ethynyl]-4-methylfuro[2,3-c]pyridin-3-yl]oxy-N,N-dimethylaniline;7-[2-(2,5-dimethylquinazolin-7-yl)ethynyl]-6-methoxy-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-c]pyridine;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158380271
3-[4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyanophenyl]benzonitrile;3-[4,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-methylphenyl]benzonitrile;9-[4-(3-isocyanophenyl)-5-methyl-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(3-isocyanophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159788476
8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159854684
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159908285
CID 160341449
CID 160341449
7-Tert-butyl-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;1-(3-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone;4-[2-(3-tert-butylphenyl)-2-oxoethyl]benzonitrile;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 160626214
CID 160843772
CID 160843772
CID 161018936
CID 161018936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole (CID 159466857) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole is CCc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.CCc1ncc(C)n2nc(CCc3nc4c5ccccc5ccn4n3)nc12.Cc1cc2c(nc(CCc3nc4c(C)ncc(C)n4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)c12.Cc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.Cc1ncc(C)n2nc(CCc3nc4c5c(ccc4n3C)CC=C5)nc12.Cc1ncc(C)n2nc(CCc3nc4c5occc5ccc4n3C)nc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole?
The InChIKey is LVHHRSJKOIYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H22N6.C21H20N6.C20H19N7.C20H20N6.C19H18N6O/c1-13-11-18-21(17-8-6-5-7-16(13)17)25-20(27(18)4)10-9-19-24-22-15(3)23-12-14(2)28(22)26-19;1-13-11-16-7-5-6-8-17(16)20-21(13)27(4)19(25-20)10-9-18-24-22-15(3)23-12-14(2)28(22)26-18;1-4-15-13-23-14(2)28-22(15)24-19(26-28)11-12-20-25-21-17-8-6-5-7-16(17)9-10-18(21)27(20)3;1-13-12-22-14(2)27-21(13)23-18(25-27)10-11-19-24-20-16-7-5-4-6-15(16)8-9-17(20)26(19)3;1-3-16-20-23-18(25-27(20)13(2)12-21-16)9-8-17-22-19-15-7-5-4-6-14(15)10-11-26(19)24-17;1-12-11-21-13(2)20-22-17(24-26(12)20)9-10-18-23-19-15-6-4-5-14(15)7-8-16(19)25(18)3;1-11-10-20-12(2)19-21-15(23-25(11)19)6-7-16-22-17-14(24(16)3)5-4-13-8-9-26-18(13)17/h2*5-8,11-12H,9-10H2,1-4H3;5-10,13H,4,11-12H2,1-3H3;4-9,12H,10-11H2,1-3H3;4-7,10-12H,3,8-9H2,1-2H3;4,6-8,11H,5,9-10H2,1-3H3;4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole has a molecular weight of 2516.05 g/mol, XLogP of 24.25, 23 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole is sourced from PubChem (CID 159466857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).