1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole

C273H250N72 — CID 157244382

IUPAC1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole
SMILESCc1c(C)n(C)c2ccccc12.Cc1cnc(C)n1C.Cc1nn(C)c2ccccc12.Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21.Cn1c(-c2ccccc2)cc2ccccc21.Cn1c(-c2ccccc2)cnc1-c1ccccc1.Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.Cn1ccc2ccccc21.Cn1ccnc1.Cn1cnc2ccccc21.Cn1nc(-c2ccccc2)c2ccccc21.Cn1nc2c3ccccc3c3ccccc3c2n1.Cn1nc2ccc3ccccc3c2n1.Cn1nc2ccc3cnccc3c2n1.Cn1nc2cccnc2n1.Cn1nc2ccncc2n1.Cn1nc2cncnc2n1.Cn1nc2nc3ccccc3nc2n1.Cn1nc2nccnc2n1.Cn1ncc2ccccc21.Cn1nnc(-c2ccccc2)n1.Cn1nnc2c3ccccc3c3ccccc3c21.Cn1nnc2ccc3ccccc3c21.Cn1nnc2ccccc21.Cn1nnnc1-c1ccccc1
InChIInChI=1S/C22H18N2.C21H17N.C16H14N2.2C15H11N3.C15H13N.2C14H12N2.2C11H9N3.C11H13N.C10H8N4.C9H7N5.C9H10N2.C9H9N.2C8H8N4.2C8H8N2.C7H7N3.2C6H6N4.C6H10N2.2C5H5N5.C4H6N2/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22(24)19-15-9-4-10-16-19;1-22-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(22)17-12-6-3-7-13-17;1-18-15(13-8-4-2-5-9-13)12-17-16(18)14-10-6-3-7-11-14;1-18-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(15)16-17-18;1-18-16-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15(14)17-18;1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-16-13-10-6-5-9-12(13)14(15-16)11-7-3-2-4-8-11;1-14-11-9-5-3-2-4-8(9)6-7-10(11)12-13-14;1-14-12-10-7-6-8-4-2-3-5-9(8)11(10)13-14;1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-14-12-9-3-2-7-6-11-5-4-8(7)10(9)13-14;1-14-12-8-9(13-14)11-7-5-3-2-4-6(7)10-8;1-7-8-5-3-4-6-9(8)11(2)10-7;1-10-7-6-8-4-2-3-5-9(8)10;1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-12-10-8(9-11-12)7-5-3-2-4-6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-5-2-3-7-4-6(5)9-10;1-10-8-5-3-2-4-7-6(5)9-10;1-5-4-7-6(2)8(5)3;1-10-8-4-2-6-3-7-5(4)9-10;1-10-8-4-5(9-10)7-3-2-6-4;1-6-3-2-5-4-6/h2-16H,1H3;2-15H,1H3;2-12H,1H3;2*2-9H,1H3;2-11H,1H3;2*2-10H,1H3;2*2-7H,1H3;4-7H,1-3H3;2-6H,1H3;2-5H,1H3;3-6H,1-2H3;2-7H,1H3;2*2-6H,1H3;2*2-6H,1H3;2-5H,1H3;2*2-4H,1H3;4H,1-3H3;2*2-3H,1H3;2-4H,1H3
InChIKeyAVOVEQNLRIPBBF-UHFFFAOYSA-N
MW4539.51 g/mol
LogP52.66
Rot. Bonds12

About 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole

1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole (PubChem CID 157244382) has the molecular formula C273H250N72 and a molecular weight of 4539.51 g/mol. Its IUPAC name is 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole.

Molecular Properties

Compound Name1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole
PubChem CID157244382
Molecular FormulaC273H250N72
Molecular Weight4539.51 g/mol
Exact Mass4536.18
IUPAC Name1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole
SMILESCc1c(C)n(C)c2ccccc12.Cc1cnc(C)n1C.Cc1nn(C)c2ccccc12.Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21.Cn1c(-c2ccccc2)cc2ccccc21.Cn1c(-c2ccccc2)cnc1-c1ccccc1.Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.Cn1ccc2ccccc21.Cn1ccnc1.Cn1cnc2ccccc21.Cn1nc(-c2ccccc2)c2ccccc21.Cn1nc2c3ccccc3c3ccccc3c2n1.Cn1nc2ccc3ccccc3c2n1.Cn1nc2ccc3cnccc3c2n1.Cn1nc2cccnc2n1.Cn1nc2ccncc2n1.Cn1nc2cncnc2n1.Cn1nc2nc3ccccc3nc2n1.Cn1nc2nccnc2n1.Cn1ncc2ccccc21.Cn1nnc(-c2ccccc2)n1.Cn1nnc2c3ccccc3c3ccccc3c21.Cn1nnc2ccc3ccccc3c21.Cn1nnc2ccccc21.Cn1nnnc1-c1ccccc1
InChIInChI=1S/C22H18N2.C21H17N.C16H14N2.2C15H11N3.C15H13N.2C14H12N2.2C11H9N3.C11H13N.C10H8N4.C9H7N5.C9H10N2.C9H9N.2C8H8N4.2C8H8N2.C7H7N3.2C6H6N4.C6H10N2.2C5H5N5.C4H6N2/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22(24)19-15-9-4-10-16-19;1-22-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(22)17-12-6-3-7-13-17;1-18-15(13-8-4-2-5-9-13)12-17-16(18)14-10-6-3-7-11-14;1-18-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(15)16-17-18;1-18-16-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15(14)17-18;1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-16-13-10-6-5-9-12(13)14(15-16)11-7-3-2-4-8-11;1-14-11-9-5-3-2-4-8(9)6-7-10(11)12-13-14;1-14-12-10-7-6-8-4-2-3-5-9(8)11(10)13-14;1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-14-12-9-3-2-7-6-11-5-4-8(7)10(9)13-14;1-14-12-8-9(13-14)11-7-5-3-2-4-6(7)10-8;1-7-8-5-3-4-6-9(8)11(2)10-7;1-10-7-6-8-4-2-3-5-9(8)10;1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-12-10-8(9-11-12)7-5-3-2-4-6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-5-2-3-7-4-6(5)9-10;1-10-8-5-3-2-4-7-6(5)9-10;1-5-4-7-6(2)8(5)3;1-10-8-4-2-6-3-7-5(4)9-10;1-10-8-4-5(9-10)7-3-2-6-4;1-6-3-2-5-4-6/h2-16H,1H3;2-15H,1H3;2-12H,1H3;2*2-9H,1H3;2-11H,1H3;2*2-10H,1H3;2*2-7H,1H3;4-7H,1-3H3;2-6H,1H3;2-5H,1H3;3-6H,1-2H3;2-7H,1H3;2*2-6H,1H3;2*2-6H,1H3;2-5H,1H3;2*2-4H,1H3;4H,1-3H3;2*2-3H,1H3;2-4H,1H3
InChIKeyAVOVEQNLRIPBBF-UHFFFAOYSA-N
XLogP52.66
TPSA721.12 Ų
H-Bond Donors
H-Bond Acceptors72
Rotatable Bonds12
Heavy Atoms345
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004539.51
LogP ≤ 552.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1072

Analyze 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole with MolForge

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Related Compounds

3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
3-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137640338
3-(1-Methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137636605
6-[[5-[1-(2-Pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
7-Methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370282
5-Methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370328
N'-[7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethylquinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 156304094
US11840546, Example 3
CID 162389384
US11840546, Example 2
CID 162389388
2-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137642341
6-Methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464160
6,7-Dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464358

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole?
The IUPAC name of 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole (CID 157244382) is 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole.
What is the SMILES notation for 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole?
The canonical SMILES for 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole is Cc1c(C)n(C)c2ccccc12.Cc1cnc(C)n1C.Cc1nn(C)c2ccccc12.Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21.Cn1c(-c2ccccc2)cc2ccccc21.Cn1c(-c2ccccc2)cnc1-c1ccccc1.Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.Cn1ccc2ccccc21.Cn1ccnc1.Cn1cnc2ccccc21.Cn1nc(-c2ccccc2)c2ccccc21.Cn1nc2c3ccccc3c3ccccc3c2n1.Cn1nc2ccc3ccccc3c2n1.Cn1nc2ccc3cnccc3c2n1.Cn1nc2cccnc2n1.Cn1nc2ccncc2n1.Cn1nc2cncnc2n1.Cn1nc2nc3ccccc3nc2n1.Cn1nc2nccnc2n1.Cn1ncc2ccccc21.Cn1nnc(-c2ccccc2)n1.Cn1nnc2c3ccccc3c3ccccc3c21.Cn1nnc2ccc3ccccc3c21.Cn1nnc2ccccc21.Cn1nnnc1-c1ccccc1.
What is the InChIKey of 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole?
The InChIKey is AVOVEQNLRIPBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2.C21H17N.C16H14N2.2C15H11N3.C15H13N.2C14H12N2.2C11H9N3.C11H13N.C10H8N4.C9H7N5.C9H10N2.C9H9N.2C8H8N4.2C8H8N2.C7H7N3.2C6H6N4.C6H10N2.2C5H5N5.C4H6N2/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22(24)19-15-9-4-10-16-19;1-22-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(22)17-12-6-3-7-13-17;1-18-15(13-8-4-2-5-9-13)12-17-16(18)14-10-6-3-7-11-14;1-18-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(15)16-17-18;1-18-16-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15(14)17-18;1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-16-13-10-6-5-9-12(13)14(15-16)11-7-3-2-4-8-11;1-14-11-9-5-3-2-4-8(9)6-7-10(11)12-13-14;1-14-12-10-7-6-8-4-2-3-5-9(8)11(10)13-14;1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-14-12-9-3-2-7-6-11-5-4-8(7)10(9)13-14;1-14-12-8-9(13-14)11-7-5-3-2-4-6(7)10-8;1-7-8-5-3-4-6-9(8)11(2)10-7;1-10-7-6-8-4-2-3-5-9(8)10;1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-12-10-8(9-11-12)7-5-3-2-4-6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-5-2-3-7-4-6(5)9-10;1-10-8-5-3-2-4-7-6(5)9-10;1-5-4-7-6(2)8(5)3;1-10-8-4-2-6-3-7-5(4)9-10;1-10-8-4-5(9-10)7-3-2-6-4;1-6-3-2-5-4-6/h2-16H,1H3;2-15H,1H3;2-12H,1H3;2*2-9H,1H3;2-11H,1H3;2*2-10H,1H3;2*2-7H,1H3;4-7H,1-3H3;2-6H,1H3;2-5H,1H3;3-6H,1-2H3;2-7H,1H3;2*2-6H,1H3;2*2-6H,1H3;2-5H,1H3;2*2-4H,1H3;4H,1-3H3;2*2-3H,1H3;2-4H,1H3.
What are the key properties of 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole?
1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole has a molecular weight of 4539.51 g/mol, XLogP of 52.66, 12 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylindazole;1-methylbenzimidazole;1-methylbenzo[e]benzotriazole;2-methylbenzo[e]benzotriazole;1-methylbenzotriazole;1-methyl-2,5-diphenylimidazole;1-methyl-2,3-diphenylindole;1-methylimidazole;1-methylindazole;1-methylindole;2-methylphenanthro[9,10-d]triazole;3-methylphenanthro[9,10-d]triazole;1-methyl-2-phenylbenzimidazole;1-methyl-3-phenylindazole;1-methyl-2-phenylindole;1-methyl-5-phenyltetrazole;2-methyl-5-phenyltetrazole;2-methyltriazolo[4,5-b]pyrazine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-b]quinoxaline;2-methyltriazolo[4,5-c]pyridine;2-methyltriazolo[4,5-d]pyrimidine;2-methyltriazolo[4,5-f]isoquinoline;1-methyl-2,4,5-triphenylimidazole;1,2,5-trimethylimidazole;1,2,3-trimethylindole is sourced from PubChem (CID 157244382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).