1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole

C124H132ClF9N33O2S+ — CID 159498526

IUPAC1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
SMILESC1=Cc2nccn2C1.CCC[N+]1=NC=CC1.COc1ccccn1.COc1cccnc1.Cc1ccc(-n2cccn2)cc1C.Cc1cn(C)cn1.Cc1cncc(C)c1.Cc1cncn1C.Cc1ncc[nH]1.Cc1nccn1C.Clc1ccc2nccn2c1.Cn1ccc2ccncc21.Cn1nccc1C(F)(F)F.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1cn2ccccc2n1.c1cc2[nH]ccc2cn1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1cnc2ccncc2c1
InChIInChI=1S/C11H12N2.C9H7N.C8H5F3N2.C8H8N2.C8H6N2.C7H5ClN2.C7H6N2.C7H5NS.C7H9N.C6H6N2.C6H11N2.2C6H7NO.C5H5F3N2.3C5H8N2.C4H3F3N2.C4H6N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;1-2-6-9-8(4-1)5-3-7-10-9;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-10-5-3-7-2-4-9-6-8(7)10;1-2-7-6-9-5-3-8(7)10-4-1;8-6-1-2-7-9-3-4-10(7)5-6;1-4-9-7-2-3-8-5-6(1)7;1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-2-6-7-3-5-8(6)4-1;1-2-5-8-6-3-4-7-8;1-8-6-3-2-4-7-5-6;1-8-6-4-2-3-5-7-6;1-10-4(2-3-9-10)5(6,7)8;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;5-4(6,7)3-1-2-8-9-3;1-4-5-2-3-6-4/h3-8H,1-2H3;1-7H;1-5H;2-6H,1H3;1-6H;1-5H;1-5,9H;1-5H;3-5H,1-2H3;1-3,5H,4H2;3-4H,2,5-6H2,1H3;2*2-5H,1H3;2-3H,1H3;3*3-4H,1-2H3;1-2H,(H,8,9);2-3H,1H3,(H,5,6)/q;;;;;;;;;;+1;;;;;;;;
InChIKeyMFCBQQSPVHHIHO-UHFFFAOYSA-N
MW2355.15 g/mol
LogP28.08
Rot. Bonds5

About 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole

1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 159498526) has the molecular formula C124H132ClF9N33O2S+ and a molecular weight of 2355.15 g/mol. Its IUPAC name is 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
PubChem CID159498526
Molecular FormulaC124H132ClF9N33O2S+
Molecular Weight2355.15 g/mol
Exact Mass2353.05
IUPAC Name1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
SMILESC1=Cc2nccn2C1.CCC[N+]1=NC=CC1.COc1ccccn1.COc1cccnc1.Cc1ccc(-n2cccn2)cc1C.Cc1cn(C)cn1.Cc1cncc(C)c1.Cc1cncn1C.Cc1ncc[nH]1.Cc1nccn1C.Clc1ccc2nccn2c1.Cn1ccc2ccncc21.Cn1nccc1C(F)(F)F.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1cn2ccccc2n1.c1cc2[nH]ccc2cn1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1cnc2ccncc2c1
InChIInChI=1S/C11H12N2.C9H7N.C8H5F3N2.C8H8N2.C8H6N2.C7H5ClN2.C7H6N2.C7H5NS.C7H9N.C6H6N2.C6H11N2.2C6H7NO.C5H5F3N2.3C5H8N2.C4H3F3N2.C4H6N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;1-2-6-9-8(4-1)5-3-7-10-9;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-10-5-3-7-2-4-9-6-8(7)10;1-2-7-6-9-5-3-8(7)10-4-1;8-6-1-2-7-9-3-4-10(7)5-6;1-4-9-7-2-3-8-5-6(1)7;1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-2-6-7-3-5-8(6)4-1;1-2-5-8-6-3-4-7-8;1-8-6-3-2-4-7-5-6;1-8-6-4-2-3-5-7-6;1-10-4(2-3-9-10)5(6,7)8;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;5-4(6,7)3-1-2-8-9-3;1-4-5-2-3-6-4/h3-8H,1-2H3;1-7H;1-5H;2-6H,1H3;1-6H;1-5H;1-5,9H;1-5H;3-5H,1-2H3;1-3,5H,4H2;3-4H,2,5-6H2,1H3;2*2-5H,1H3;2-3H,1H3;3*3-4H,1-2H3;1-2H,(H,8,9);2-3H,1H3,(H,5,6)/q;;;;;;;;;;+1;;;;;;;;
InChIKeyMFCBQQSPVHHIHO-UHFFFAOYSA-N
XLogP28.08
TPSA369.44 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds5
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.15
LogP ≤ 528.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole 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

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole (CID 159498526) is 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole is C1=Cc2nccn2C1.CCC[N+]1=NC=CC1.COc1ccccn1.COc1cccnc1.Cc1ccc(-n2cccn2)cc1C.Cc1cn(C)cn1.Cc1cncc(C)c1.Cc1cncn1C.Cc1ncc[nH]1.Cc1nccn1C.Clc1ccc2nccn2c1.Cn1ccc2ccncc21.Cn1nccc1C(F)(F)F.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1cn2ccccc2n1.c1cc2[nH]ccc2cn1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1cnc2ccncc2c1.
What is the InChIKey of 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is MFCBQQSPVHHIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C9H7N.C8H5F3N2.C8H8N2.C8H6N2.C7H5ClN2.C7H6N2.C7H5NS.C7H9N.C6H6N2.C6H11N2.2C6H7NO.C5H5F3N2.3C5H8N2.C4H3F3N2.C4H6N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;1-2-6-9-8(4-1)5-3-7-10-9;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-10-5-3-7-2-4-9-6-8(7)10;1-2-7-6-9-5-3-8(7)10-4-1;8-6-1-2-7-9-3-4-10(7)5-6;1-4-9-7-2-3-8-5-6(1)7;1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-2-6-7-3-5-8(6)4-1;1-2-5-8-6-3-4-7-8;1-8-6-3-2-4-7-5-6;1-8-6-4-2-3-5-7-6;1-10-4(2-3-9-10)5(6,7)8;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;5-4(6,7)3-1-2-8-9-3;1-4-5-2-3-6-4/h3-8H,1-2H3;1-7H;1-5H;2-6H,1H3;1-6H;1-5H;1-5,9H;1-5H;3-5H,1-2H3;1-3,5H,4H2;3-4H,2,5-6H2,1H3;2*2-5H,1H3;2-3H,1H3;3*3-4H,1-2H3;1-2H,(H,8,9);2-3H,1H3,(H,5,6)/q;;;;;;;;;;+1;;;;;;;;.
What are the key properties of 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole?
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 2355.15 g/mol, XLogP of 28.08, 5 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 159498526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).