1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

C171H179ClF13N37O3S — CID 161403183

About 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 161403183) has the molecular formula C171H179ClF13N37O3S and a molecular weight of 3115.06 g/mol. Its IUPAC name is 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• PubChem CID: 161403183
• Molecular Formula: C171H179ClF13N37O3S
• Molecular Weight: 3115.06 g/mol
• Exact Mass: 3112.42
• IUPAC Name: 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• SMILES: C#CNCCc1ccncc1.C1=c2ccccc2=CC1.CC(F)(F)c1cccnc1.CCc1cccc(OC)n1.CN(C)c1ncccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1C.Cc1cncc(Cl)c1.Cc1ncccc1F.FC(F)(F)c1ccccn1.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1ccncc1.Fc1ccncc1.c1ccc(N2CCOCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cncc(N2CCOCC2)c1.c1cnccn1.c1cncnc1.c1csc(N2CCCC2)n1
• InChI: InChI=1S/2C9H12N2O.C9H10N2.C9H8.C8H11NO.2C8H7N.C7H7F2N.C7H10N2S.3C7H6N2.C7H9N.C6H6ClN.2C6H4F3N.C6H6FN.C6H9N3.2C6H7N.C5H4FN.2C5H5N.C4H3F3N2.2C4H4N2/c1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-2-4-10-9(3-1)11-5-7-12-8-6-11;1-2-10-6-3-9-4-7-11-8-5-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-4-6-8(9-7)10-2;2*1-2-4-8-7(3-1)5-6-9-8;1-7(8,9)6-3-2-4-10-5-6;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-6-4-3-5-8-7(6)2;1-5-2-6(7)4-8-3-5;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-3-1-2-4-10-5;1-5-6(7)3-2-4-8-5;1-9(2)6-7-4-3-5-8-6;2*1-6-3-2-4-7-5-6;6-5-1-3-7-4-2-5;2*1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;1-2-6-4-3-5-1;1-2-5-4-6-3-1/h1-3,8H,4-7H2;1-4H,5-8H2;1,4-5,7-8,10H,3,6H2;1-2,4-7H,3H2;4-6H,3H2,1-2H3;2*1-6,9H;2-5H,1H3;3,6H,1-2,4-5H2;1-5,9H;1-6H;1-5H,(H,8,9);3-5H,1-2H3;2-4H,1H3;2*1-4H;2-4H,1H3;3-5H,1-2H3;2*2-5H,1H3;1-4H;2*1-5H;1-2H,(H,8,9);2*1-4H
• InChIKey: VUMPDKFSLCKMMG-UHFFFAOYSA-N
• XLogP: 36.24
• TPSA: 471.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 10
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3115.06
LogP ≤ 5	36.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The IUPAC name of 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (CID 161403183) is 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

What is the SMILES notation for 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The canonical SMILES for 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is C#CNCCc1ccncc1.C1=c2ccccc2=CC1.CC(F)(F)c1cccnc1.CCc1cccc(OC)n1.CN(C)c1ncccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1C.Cc1cncc(Cl)c1.Cc1ncccc1F.FC(F)(F)c1ccccn1.FC(F)(F)c1ccn[nH]1.FC(F)(F)c1ccncc1.Fc1ccncc1.c1ccc(N2CCOCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cncc(N2CCOCC2)c1.c1cnccn1.c1cncnc1.c1csc(N2CCCC2)n1.

What is the InChIKey of 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The InChIKey is VUMPDKFSLCKMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N2O.C9H10N2.C9H8.C8H11NO.2C8H7N.C7H7F2N.C7H10N2S.3C7H6N2.C7H9N.C6H6ClN.2C6H4F3N.C6H6FN.C6H9N3.2C6H7N.C5H4FN.2C5H5N.C4H3F3N2.2C4H4N2/c1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-2-4-10-9(3-1)11-5-7-12-8-6-11;1-2-10-6-3-9-4-7-11-8-5-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-4-6-8(9-7)10-2;2*1-2-4-8-7(3-1)5-6-9-8;1-7(8,9)6-3-2-4-10-5-6;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-6-4-3-5-8-7(6)2;1-5-2-6(7)4-8-3-5;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-3-1-2-4-10-5;1-5-6(7)3-2-4-8-5;1-9(2)6-7-4-3-5-8-6;2*1-6-3-2-4-7-5-6;6-5-1-3-7-4-2-5;2*1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;1-2-6-4-3-5-1;1-2-5-4-6-3-1/h1-3,8H,4-7H2;1-4H,5-8H2;1,4-5,7-8,10H,3,6H2;1-2,4-7H,3H2;4-6H,3H2,1-2H3;2*1-6,9H;2-5H,1H3;3,6H,1-2,4-5H2;1-5,9H;1-6H;1-5H,(H,8,9);3-5H,1-2H3;2-4H,1H3;2*1-4H;2-4H,1H3;3-5H,1-2H3;2*2-5H,1H3;1-4H;2*1-5H;1-2H,(H,8,9);2*1-4H.

What are the key properties of 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 3115.06 g/mol, XLogP of 36.24, 10 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 161403183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).