4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

C101H69Cl5F8N24O2 — CID 157112593

About 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 157112593) has the molecular formula C101H69Cl5F8N24O2 and a molecular weight of 1980.08 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

• Compound Name: 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
• PubChem CID: 157112593
• Molecular Formula: C101H69Cl5F8N24O2
• Molecular Weight: 1980.08 g/mol
• Exact Mass: 1976.44
• IUPAC Name: 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
• SMILES: Cc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Clc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Clc1ccc2nc(-c3ccccn3)[nH]c2c1.FC(F)(F)c1cccc2[nH]c(-c3ccccn3)nc12.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2[nH]c(-c3ccccn3)nc2cc1Cl
• InChI: InChI=1S/C13H10ClN3O.C13H10ClN3.C13H8F3N3.C13H9F2N3O.C13H11N3.C12H7Cl2N3.C12H8ClN3.C12H6F3N3/c14-9-6-12-11(5-8(9)7-18)16-13(17-12)10-3-1-2-4-15-10;1-8-6-9(14)12-11(7-8)16-13(17-12)10-4-2-3-5-15-10;14-13(15,16)8-4-3-6-9-11(8)19-12(18-9)10-5-1-2-7-17-10;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;13-7-5-8(14)11-10(6-7)16-12(17-11)9-3-1-2-4-15-9;13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10;13-6-5-8-11(10(15)9(6)14)18-12(17-8)7-3-1-2-4-16-7/h1-6,18H,7H2,(H,16,17);2-7H,1H3,(H,16,17);1-7H,(H,18,19);1-5,19H,6H2,(H,17,18);2-8H,1H3,(H,15,16);1-6H,(H,16,17);1-7H,(H,15,16);1-5H,(H,17,18)
• InChIKey: AHAIRMVXZWTSQO-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 373.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.08
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The IUPAC name of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (CID 157112593) is 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.

What is the SMILES notation for 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The canonical SMILES for 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is Cc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Clc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Clc1ccc2nc(-c3ccccn3)[nH]c2c1.FC(F)(F)c1cccc2[nH]c(-c3ccccn3)nc12.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2[nH]c(-c3ccccn3)nc2cc1Cl.

What is the InChIKey of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The InChIKey is AHAIRMVXZWTSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O.C13H10ClN3.C13H8F3N3.C13H9F2N3O.C13H11N3.C12H7Cl2N3.C12H8ClN3.C12H6F3N3/c14-9-6-12-11(5-8(9)7-18)16-13(17-12)10-3-1-2-4-15-10;1-8-6-9(14)12-11(7-8)16-13(17-12)10-4-2-3-5-15-10;14-13(15,16)8-4-3-6-9-11(8)19-12(18-9)10-5-1-2-7-17-10;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;13-7-5-8(14)11-10(6-7)16-12(17-11)9-3-1-2-4-15-9;13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10;13-6-5-8-11(10(15)9(6)14)18-12(17-8)7-3-1-2-4-16-7/h1-6,18H,7H2,(H,16,17);2-7H,1H3,(H,16,17);1-7H,(H,18,19);1-5,19H,6H2,(H,17,18);2-8H,1H3,(H,15,16);1-6H,(H,16,17);1-7H,(H,15,16);1-5H,(H,17,18).

What are the key properties of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 1980.08 g/mol, XLogP of 25.58, 10 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 157112593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).