1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine

C150H168Cl2F6N49O12S4+ — CID 161002803

About 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine

1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine (PubChem CID 161002803) has the molecular formula C150H168Cl2F6N49O12S4+ and a molecular weight of 3162.49 g/mol. Its IUPAC name is 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
• PubChem CID: 161002803
• Molecular Formula: C150H168Cl2F6N49O12S4+
• Molecular Weight: 3162.49 g/mol
• Exact Mass: 3159.22
• IUPAC Name: 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
• SMILES: C1=NN=C(c2ccccc2)C1.C1=NN=C(c2ccco2)C1.CC(=O)Cc1nncs1.CC(=O)c1cccnc1.CCNC(=O)c1cccnc1.CN(C)C(=O)c1cccnc1.CNC(=O)c1cccnc1.COCc1nncn1C.COc1cccnc1.COc1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1nncn1C.Cc1nncs1.Clc1ccccn1.Clc1cccnc1.Cn1ccnc1.Cn1cnnc1.Cn1cnnn1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.NC(=O)c1cccnc1.Nc1nncs1.O=C(Cc1nncs1)C1CC1.O[n+]1ccccc1.c1ccc2[nH]cnc2c1.c1ccncc1
• InChI: InChI=1S/C9H8N2.2C8H10N2O.C7H8N2OS.C7H6N2O.C7H8N2O.C7H6N2.C7H7NO.2C6H4F3N.C6H6N2O.2C6H7NO.2C6H7N.2C5H4ClN.C5H9N3O.C5H6N2OS.C5H6NO.C5H5N.C4H7N3.C4H6N2.C3H5N3.C3H4N2S.C2H4N4.C2H3N3S/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-10(2)8(11)7-4-3-5-9-6-7;1-2-10-8(11)7-4-3-5-9-6-7;10-6(5-1-2-5)3-7-9-8-4-11-7;1-2-7(10-5-1)6-3-4-8-9-6;1-8-7(10)6-3-2-4-9-5-6;1-2-4-7-6(3-1)8-5-9-7;1-6(9)7-3-2-4-8-5-7;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-6(9)5-2-1-3-8-4-5;1-8-6-2-4-7-5-3-6;1-8-6-3-2-4-7-5-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;1-8-4-6-7-5(8)3-9-2;1-4(8)2-5-7-6-3-9-5;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-4-6-5-3-7(4)2;1-6-3-2-5-4-6;1-6-2-4-5-3-6;1-3-5-4-2-6-3;1-6-2-3-4-5-6;3-2-5-4-1-6-2/h1-5,7H,6H2;3-6H,1-2H3;3-6H,2H2,1H3,(H,10,11);4-5H,1-3H2;1-2,4-5H,3H2;2-5H,1H3,(H,8,10);1-5H,(H,8,9);2-5H,1H3;2*1-4H;1-4H,(H2,7,9);2*2-5H,1H3;2*2-5H,1H3;2*1-4H;4H,3H2,1-2H3;3H,2H2,1H3;1-5,7H;1-5H;3H,1-2H3;2-4H,1H3;2-3H,1H3;2*2H,1H3;1H,(H2,3,5)/q;;;;;;;;;;;;;;;;;;;+1
• InChIKey: TWCJWWNFYYIXAV-UHFFFAOYSA-N
• XLogP: 24.56
• TPSA: 779.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 59
• Rotatable Bonds: 17
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3162.49
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

The IUPAC name of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine (CID 161002803) is 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine.

What is the SMILES notation for 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

The canonical SMILES for 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine is C1=NN=C(c2ccccc2)C1.C1=NN=C(c2ccco2)C1.CC(=O)Cc1nncs1.CC(=O)c1cccnc1.CCNC(=O)c1cccnc1.CN(C)C(=O)c1cccnc1.CNC(=O)c1cccnc1.COCc1nncn1C.COc1cccnc1.COc1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1nncn1C.Cc1nncs1.Clc1ccccn1.Clc1cccnc1.Cn1ccnc1.Cn1cnnc1.Cn1cnnn1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.NC(=O)c1cccnc1.Nc1nncs1.O=C(Cc1nncs1)C1CC1.O[n+]1ccccc1.c1ccc2[nH]cnc2c1.c1ccncc1.

What is the InChIKey of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

The InChIKey is TWCJWWNFYYIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.2C8H10N2O.C7H8N2OS.C7H6N2O.C7H8N2O.C7H6N2.C7H7NO.2C6H4F3N.C6H6N2O.2C6H7NO.2C6H7N.2C5H4ClN.C5H9N3O.C5H6N2OS.C5H6NO.C5H5N.C4H7N3.C4H6N2.C3H5N3.C3H4N2S.C2H4N4.C2H3N3S/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-10(2)8(11)7-4-3-5-9-6-7;1-2-10-8(11)7-4-3-5-9-6-7;10-6(5-1-2-5)3-7-9-8-4-11-7;1-2-7(10-5-1)6-3-4-8-9-6;1-8-7(10)6-3-2-4-9-5-6;1-2-4-7-6(3-1)8-5-9-7;1-6(9)7-3-2-4-8-5-7;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-6(9)5-2-1-3-8-4-5;1-8-6-2-4-7-5-3-6;1-8-6-3-2-4-7-5-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;1-8-4-6-7-5(8)3-9-2;1-4(8)2-5-7-6-3-9-5;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-4-6-5-3-7(4)2;1-6-3-2-5-4-6;1-6-2-4-5-3-6;1-3-5-4-2-6-3;1-6-2-3-4-5-6;3-2-5-4-1-6-2/h1-5,7H,6H2;3-6H,1-2H3;3-6H,2H2,1H3,(H,10,11);4-5H,1-3H2;1-2,4-5H,3H2;2-5H,1H3,(H,8,10);1-5H,(H,8,9);2-5H,1H3;2*1-4H;1-4H,(H2,7,9);2*2-5H,1H3;2*2-5H,1H3;2*1-4H;4H,3H2,1-2H3;3H,2H2,1H3;1-5,7H;1-5H;3H,1-2H3;2-4H,1H3;2-3H,1H3;2*2H,1H3;1H,(H2,3,5)/q;;;;;;;;;;;;;;;;;;;+1;;;;;;;.

What are the key properties of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine has a molecular weight of 3162.49 g/mol, XLogP of 24.56, 17 rotatable bonds, 6 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2-chloropyridine;3-chloropyridine;1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanone;N,N-dimethylpyridine-3-carboxamide;3,4-dimethyl-1,2,4-triazole;N-ethylpyridine-3-carboxamide;3-(furan-2-yl)-4H-pyrazole;1-hydroxypyridin-1-ium;3-(methoxymethyl)-4-methyl-1,2,4-triazole;3-methoxypyridine;4-methoxypyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;3-phenyl-4H-pyrazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;1,3,4-thiadiazol-2-amine;1-(1,3,4-thiadiazol-2-yl)propan-2-one;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine is sourced from PubChem (CID 161002803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).