3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide

C117H117BrCl4F9N18O8+ — CID 159523762

About 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide

3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide (PubChem CID 159523762) has the molecular formula C117H117BrCl4F9N18O8+ and a molecular weight of 2296.04 g/mol. Its IUPAC name is 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide
• PubChem CID: 159523762
• Molecular Formula: C117H117BrCl4F9N18O8+
• Molecular Weight: 2296.04 g/mol
• Exact Mass: 2291.71
• IUPAC Name: 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide
• SMILES: C=CCN(Cc1[nH]c2cc(F)ccc2[n+]1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(C(F)(F)F)c1.CCCN(Cc1nc2ccccc2n1C(C)C)C(=O)c1cccc(F)c1
• InChI: InChI=1S/C22H23ClFN3O2.C21H24FN3O.C19H19ClFN3O2.C19H17F4N3O.C18H17BrFN3O.C18H16Cl2FN3O/c1-4-10-26(22(28)17-12-15(23)6-9-20(17)29-3)14-21-25-18-13-16(24)7-8-19(18)27(21)11-5-2;1-4-12-24(21(26)16-8-7-9-17(22)13-16)14-20-23-18-10-5-6-11-19(18)25(20)15(2)3;1-3-8-24(19(25)14-9-12(20)4-7-17(14)26-2)11-18-22-15-6-5-13(21)10-16(15)23-18;1-2-8-26(11-17-24-15-7-6-14(20)10-16(15)25-17)18(27)12-4-3-5-13(9-12)19(21,22)23;1-2-8-23(18(24)12-4-3-5-13(19)9-12)11-17-21-15-7-6-14(20)10-16(15)22-17;1-2-7-24(18(25)13-8-11(19)3-5-14(13)20)10-17-22-15-6-4-12(21)9-16(15)23-17/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-11,13,15H,4,12,14H2,1-3H3;4-7,9-10H,3,8,11H2,1-2H3,(H,22,23);3-7,9-10H,2,8,11H2,1H3,(H,24,25);3-7,9-10H,2,8,11H2,1H3,(H,21,22);3-6,8-9H,2,7,10H2,1H3,(H,22,23)/p+1
• InChIKey: FRIHEJGVBLHISB-UHFFFAOYSA-O
• XLogP: 28.07
• TPSA: 292.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 35
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.04
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide?

The IUPAC name of 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide (CID 159523762) is 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide.

What is the SMILES notation for 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide?

The canonical SMILES for 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide is C=CCN(Cc1[nH]c2cc(F)ccc2[n+]1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(C(F)(F)F)c1.CCCN(Cc1nc2ccccc2n1C(C)C)C(=O)c1cccc(F)c1.

What is the InChIKey of 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide?

The InChIKey is FRIHEJGVBLHISB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23ClFN3O2.C21H24FN3O.C19H19ClFN3O2.C19H17F4N3O.C18H17BrFN3O.C18H16Cl2FN3O/c1-4-10-26(22(28)17-12-15(23)6-9-20(17)29-3)14-21-25-18-13-16(24)7-8-19(18)27(21)11-5-2;1-4-12-24(21(26)16-8-7-9-17(22)13-16)14-20-23-18-10-5-6-11-19(18)25(20)15(2)3;1-3-8-24(19(25)14-9-12(20)4-7-17(14)26-2)11-18-22-15-6-5-13(21)10-16(15)23-18;1-2-8-26(11-17-24-15-7-6-14(20)10-16(15)25-17)18(27)12-4-3-5-13(9-12)19(21,22)23;1-2-8-23(18(24)12-4-3-5-13(19)9-12)11-17-21-15-7-6-14(20)10-16(15)22-17;1-2-7-24(18(25)13-8-11(19)3-5-14(13)20)10-17-22-15-6-4-12(21)9-16(15)23-17/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-11,13,15H,4,12,14H2,1-3H3;4-7,9-10H,3,8,11H2,1-2H3,(H,22,23);3-7,9-10H,2,8,11H2,1H3,(H,24,25);3-7,9-10H,2,8,11H2,1H3,(H,21,22);3-6,8-9H,2,7,10H2,1H3,(H,22,23)/p+1.

What are the key properties of 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide?

3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide has a molecular weight of 2296.04 g/mol, XLogP of 28.07, 35 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 159523762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).