1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene

C245H270N72O9 — CID 161497760

IUPAC1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene
SMILESCC1=CCN=N1.CC1CCOCC1.CN1C(=O)Cc2ccccc21.CN1CCOCC1.Cc1ccc2cccnc2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccnc2ccncc12.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnc2ccccc2c1.Cc1cnccn1.Cc1cnccn1.Cc1ncccn1.Cc1nncc2ccccc12.Cn1c(=O)[nH]c2ccccc21.Cn1ccc(=O)c2ccccc21.Cn1ccc(=O)cc1.Cn1ccc2ccccc21.Cn1ccnn1.Cn1cnc(=O)c2ccccc21.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1cnccc1=O.Cn1cncn1.Cn1cnnc1.Cn1nc2ccccc2n1.Cn1ncc(=O)c2ccccc21.Cn1ncc2ccccc21.Cn1ncc2cnccc21.Cn1nnc2ccccc21.Cn1nnc2cccnc21.Cn1nnc2ccncc21
InChIInChI=1S/C10H9NO.2C10H9N.2C9H8N2O.2C9H8N2.C9H9NO.C9H9N.C8H8N2O.2C8H8N2.5C7H7N3.C7H8.2C6H6N4.C6H7NO.3C6H7N.C6H12O.C5H6N2O.6C5H6N2.C5H11NO.C4H6N2.3C3H5N3/c1-11-7-6-10(12)8-4-2-3-5-9(8)11;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-11-8-5-3-2-4-7(8)9(12)6-10-11;1-7-2-5-11-9-3-4-10-6-8(7)9;1-7-9-5-3-2-4-8(9)6-10-11-7;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-7-6-8-4-2-3-5-9(8)10;1-10-7-5-3-2-4-6(7)9-8(10)11;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-7-2-3-8-4-6(7)5-9-10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-5-9-6-3-2-4-8-7(6)10;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-6-4-2-3-5-7(6)9-10;1-7-5-3-2-4-6-7;1-10-6-4-7-3-2-5(6)8-9-10;1-10-6-5(8-9-10)3-2-4-7-6;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-2-4-7-5-3-6;1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6/h2-7H,1H3;2*2-7H,1H3;2*2-6H,1H3;2*2-6H,1H3;2-5H,6H2,1H3;2-7H,1H3;2-5H,1H3,(H,9,11);2*2-6H,1H3;5*2-5H,1H3;2-6H,1H3;2*2-4H,1H3;2-5H,1H3;3*2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;6*2-4H,1H3;2-5H2,1H3;2H,3H2,1H3;3*2-3H,1H3
InChIKeyWGKZVDQAQJFBKQ-UHFFFAOYSA-N
MW4367.35 g/mol
LogP38.56
Rot. Bonds

About 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene

1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene (PubChem CID 161497760) has the molecular formula C245H270N72O9 and a molecular weight of 4367.35 g/mol. Its IUPAC name is 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene.

Molecular Properties

Compound Name1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene
PubChem CID161497760
Molecular FormulaC245H270N72O9
Molecular Weight4367.35 g/mol
Exact Mass4364.29
IUPAC Name1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene
SMILESCC1=CCN=N1.CC1CCOCC1.CN1C(=O)Cc2ccccc21.CN1CCOCC1.Cc1ccc2cccnc2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccnc2ccncc12.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnc2ccccc2c1.Cc1cnccn1.Cc1cnccn1.Cc1ncccn1.Cc1nncc2ccccc12.Cn1c(=O)[nH]c2ccccc21.Cn1ccc(=O)c2ccccc21.Cn1ccc(=O)cc1.Cn1ccc2ccccc21.Cn1ccnn1.Cn1cnc(=O)c2ccccc21.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1cnccc1=O.Cn1cncn1.Cn1cnnc1.Cn1nc2ccccc2n1.Cn1ncc(=O)c2ccccc21.Cn1ncc2ccccc21.Cn1ncc2cnccc21.Cn1nnc2ccccc21.Cn1nnc2cccnc21.Cn1nnc2ccncc21
InChIInChI=1S/C10H9NO.2C10H9N.2C9H8N2O.2C9H8N2.C9H9NO.C9H9N.C8H8N2O.2C8H8N2.5C7H7N3.C7H8.2C6H6N4.C6H7NO.3C6H7N.C6H12O.C5H6N2O.6C5H6N2.C5H11NO.C4H6N2.3C3H5N3/c1-11-7-6-10(12)8-4-2-3-5-9(8)11;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-11-8-5-3-2-4-7(8)9(12)6-10-11;1-7-2-5-11-9-3-4-10-6-8(7)9;1-7-9-5-3-2-4-8(9)6-10-11-7;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-7-6-8-4-2-3-5-9(8)10;1-10-7-5-3-2-4-6(7)9-8(10)11;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-7-2-3-8-4-6(7)5-9-10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-5-9-6-3-2-4-8-7(6)10;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-6-4-2-3-5-7(6)9-10;1-7-5-3-2-4-6-7;1-10-6-4-7-3-2-5(6)8-9-10;1-10-6-5(8-9-10)3-2-4-7-6;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-2-4-7-5-3-6;1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6/h2-7H,1H3;2*2-7H,1H3;2*2-6H,1H3;2*2-6H,1H3;2-5H,6H2,1H3;2-7H,1H3;2-5H,1H3,(H,9,11);2*2-6H,1H3;5*2-5H,1H3;2-6H,1H3;2*2-4H,1H3;2-5H,1H3;3*2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;6*2-4H,1H3;2-5H2,1H3;2H,3H2,1H3;3*2-3H,1H3
InChIKeyWGKZVDQAQJFBKQ-UHFFFAOYSA-N
XLogP38.56
TPSA897.33 Ų
H-Bond Donors1
H-Bond Acceptors79
Rotatable Bonds
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004367.35
LogP ≤ 538.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1079

Analyze 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene?
The IUPAC name of 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene (CID 161497760) is 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene.
What is the SMILES notation for 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene?
The canonical SMILES for 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene is CC1=CCN=N1.CC1CCOCC1.CN1C(=O)Cc2ccccc21.CN1CCOCC1.Cc1ccc2cccnc2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccnc2ccncc12.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnc2ccccc2c1.Cc1cnccn1.Cc1cnccn1.Cc1ncccn1.Cc1nncc2ccccc12.Cn1c(=O)[nH]c2ccccc21.Cn1ccc(=O)c2ccccc21.Cn1ccc(=O)cc1.Cn1ccc2ccccc21.Cn1ccnn1.Cn1cnc(=O)c2ccccc21.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1cnccc1=O.Cn1cncn1.Cn1cnnc1.Cn1nc2ccccc2n1.Cn1ncc(=O)c2ccccc21.Cn1ncc2ccccc21.Cn1ncc2cnccc21.Cn1nnc2ccccc21.Cn1nnc2cccnc21.Cn1nnc2ccncc21.
What is the InChIKey of 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene?
The InChIKey is WGKZVDQAQJFBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.2C10H9N.2C9H8N2O.2C9H8N2.C9H9NO.C9H9N.C8H8N2O.2C8H8N2.5C7H7N3.C7H8.2C6H6N4.C6H7NO.3C6H7N.C6H12O.C5H6N2O.6C5H6N2.C5H11NO.C4H6N2.3C3H5N3/c1-11-7-6-10(12)8-4-2-3-5-9(8)11;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-11-8-5-3-2-4-7(8)9(12)6-10-11;1-7-2-5-11-9-3-4-10-6-8(7)9;1-7-9-5-3-2-4-8(9)6-10-11-7;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-7-6-8-4-2-3-5-9(8)10;1-10-7-5-3-2-4-6(7)9-8(10)11;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-7-2-3-8-4-6(7)5-9-10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-5-9-6-3-2-4-8-7(6)10;1-10-7-5-3-2-4-6(7)8-9-10;1-10-8-6-4-2-3-5-7(6)9-10;1-7-5-3-2-4-6-7;1-10-6-4-7-3-2-5(6)8-9-10;1-10-6-5(8-9-10)3-2-4-7-6;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-2-4-7-5-3-6;1-4-2-3-5-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6/h2-7H,1H3;2*2-7H,1H3;2*2-6H,1H3;2*2-6H,1H3;2-5H,6H2,1H3;2-7H,1H3;2-5H,1H3,(H,9,11);2*2-6H,1H3;5*2-5H,1H3;2-6H,1H3;2*2-4H,1H3;2-5H,1H3;3*2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;6*2-4H,1H3;2-5H2,1H3;2H,3H2,1H3;3*2-3H,1H3.
What are the key properties of 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene?
1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene has a molecular weight of 4367.35 g/mol, XLogP of 38.56, 0 rotatable bonds, 1 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;1-methylbenzotriazole;2-methylbenzotriazole;1-methylcinnolin-4-one;3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;1-methyl-3H-indol-2-one;4-methylmorpholine;4-methyl-1,6-naphthyridine;4-methyloxane;1-methylphthalazine;bis(2-methylpyrazine);5-methyl-3H-pyrazole;1-methylpyrazolo[4,5-c]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;3-methylquinoline;7-methylquinoline;1-methylquinolin-4-one;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;3-methyltriazolo[4,5-b]pyridine;3-methyltriazolo[4,5-c]pyridine;toluene is sourced from PubChem (CID 161497760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).