N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C130H139Cl4F15N18O6+2 — CID 157299470

About N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 157299470) has the molecular formula C130H139Cl4F15N18O6+2 and a molecular weight of 2476.44 g/mol. Its IUPAC name is N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
• PubChem CID: 157299470
• Molecular Formula: C130H139Cl4F15N18O6+2
• Molecular Weight: 2476.44 g/mol
• Exact Mass: 2472.96
• IUPAC Name: N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
• SMILES: CCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1c(F)ccc(F)c1F.CCCN(Cc1[nH]c2ccc(Cl)cc2[n+]1CCC)C(=O)c1c(F)ccc(F)c1F.CCCN(Cc1nc2ccccc2n1C(C)C)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F.CCC[n+]1c(CN(C)C(=O)c2c(F)ccc(F)c2F)[nH]c2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2ccccc21
• InChI: InChI=1S/C23H24F3N3O.2C23H26F3N3O.C21H23Cl2N3O.C21H21ClF3N3O.C19H17ClF3N3O/c1-2-13-28(23(30)21-16(24)11-12-17(25)22(21)26)14-20-27-18-9-5-6-10-19(18)29(20)15-7-3-4-8-15;1-4-12-29-19-8-6-5-7-18(19)27-20(29)14-28(13-11-15(2)3)23(30)21-16(24)9-10-17(25)22(21)26;1-3-5-8-14-28(23(30)21-16(24)11-12-17(25)22(21)26)15-20-27-18-9-6-7-10-19(18)29(20)13-4-2;1-4-11-25(21(27)16-12-15(22)9-10-17(16)23)13-20-24-18-7-5-6-8-19(18)26(20)14(2)3;1-3-9-27(21(29)19-14(23)6-7-15(24)20(19)25)12-18-26-16-8-5-13(22)11-17(16)28(18)10-4-2;1-3-8-26-15-9-11(20)4-7-14(15)24-16(26)10-25(2)19(27)17-12(21)5-6-13(22)18(17)23/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3;5-10,15H,4,11-14H2,1-3H3;6-7,9-12H,3-5,8,13-15H2,1-2H3;5-10,12,14H,4,11,13H2,1-3H3;5-8,11H,3-4,9-10,12H2,1-2H3;4-7,9H,3,8,10H2,1-2H3/p+2
• InChIKey: FATQDVBBERAKSB-UHFFFAOYSA-P
• XLogP: 32.04
• TPSA: 232.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 41
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2476.44
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?

The IUPAC name of N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 157299470) is N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

What is the SMILES notation for N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?

The canonical SMILES for N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1c(F)ccc(F)c1F.CCCN(Cc1[nH]c2ccc(Cl)cc2[n+]1CCC)C(=O)c1c(F)ccc(F)c1F.CCCN(Cc1nc2ccccc2n1C(C)C)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F.CCC[n+]1c(CN(C)C(=O)c2c(F)ccc(F)c2F)[nH]c2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2ccccc21.

What is the InChIKey of N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?

The InChIKey is FATQDVBBERAKSB-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H24F3N3O.2C23H26F3N3O.C21H23Cl2N3O.C21H21ClF3N3O.C19H17ClF3N3O/c1-2-13-28(23(30)21-16(24)11-12-17(25)22(21)26)14-20-27-18-9-5-6-10-19(18)29(20)15-7-3-4-8-15;1-4-12-29-19-8-6-5-7-18(19)27-20(29)14-28(13-11-15(2)3)23(30)21-16(24)9-10-17(25)22(21)26;1-3-5-8-14-28(23(30)21-16(24)11-12-17(25)22(21)26)15-20-27-18-9-6-7-10-19(18)29(20)13-4-2;1-4-11-25(21(27)16-12-15(22)9-10-17(16)23)13-20-24-18-7-5-6-8-19(18)26(20)14(2)3;1-3-9-27(21(29)19-14(23)6-7-15(24)20(19)25)12-18-26-16-8-5-13(22)11-17(16)28(18)10-4-2;1-3-8-26-15-9-11(20)4-7-14(15)24-16(26)10-25(2)19(27)17-12(21)5-6-13(22)18(17)23/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3;5-10,15H,4,11-14H2,1-3H3;6-7,9-12H,3-5,8,13-15H2,1-2H3;5-10,12,14H,4,11,13H2,1-3H3;5-8,11H,3-4,9-10,12H2,1-2H3;4-7,9H,3,8,10H2,1-2H3/p+2.

What are the key properties of N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?

N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 2476.44 g/mol, XLogP of 32.04, 41 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-methylbenzamide;N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide;2,5-dichloro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,3,6-trifluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,3,6-trifluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 157299470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).