2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide

C116H137F12N15O6S — CID 158490695

About 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide

2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 158490695) has the molecular formula C116H137F12N15O6S and a molecular weight of 2097.51 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
• PubChem CID: 158490695
• Molecular Formula: C116H137F12N15O6S
• Molecular Weight: 2097.51 g/mol
• Exact Mass: 2096.04
• IUPAC Name: 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
• SMILES: CCCn1c(CN(CC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(F)c2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2ccc(F)cc21
• InChI: InChI=1S/C25H32FN3O2.C24H29F2N3O.C23H25F4N3O.C22H23F4N3O.C22H28FN3OS/c1-5-12-29-23-16-20(26)9-10-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4;1-4-11-29-22-15-20(26)8-9-21(22)27-23(29)16-28(12-10-17(2)3)24(30)14-18-6-5-7-19(25)13-18;1-4-10-30-19-8-5-15(24)12-18(19)28-20(30)13-29(11-9-14(2)3)23(31)21-16(25)6-7-17(26)22(21)27;1-4-9-29-18-10-14(23)5-8-17(18)27-19(29)12-28(11-13(2)3)22(30)20-15(24)6-7-16(25)21(20)26;1-5-11-26-19-13-17(23)7-8-18(19)24-21(26)14-25(12-10-15(2)3)22(27)20-9-6-16(4)28-20/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3;5-9,13,15,17H,4,10-12,14,16H2,1-3H3;5-8,12,14H,4,9-11,13H2,1-3H3;5-8,10,13H,4,9,11-12H2,1-3H3;6-9,13,15H,5,10-12,14H2,1-4H3
• InChIKey: HIQSBHLNFHXZBL-UHFFFAOYSA-N
• XLogP: 27.19
• TPSA: 199.88 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 42
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2097.51
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?

The IUPAC name of 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide (CID 158490695) is 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide.

What is the SMILES notation for 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?

The canonical SMILES for 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide is CCCn1c(CN(CC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(F)c2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2ccc(F)cc21.

What is the InChIKey of 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?

The InChIKey is HIQSBHLNFHXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2.C24H29F2N3O.C23H25F4N3O.C22H23F4N3O.C22H28FN3OS/c1-5-12-29-23-16-20(26)9-10-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4;1-4-11-29-22-15-20(26)8-9-21(22)27-23(29)16-28(12-10-17(2)3)24(30)14-18-6-5-7-19(25)13-18;1-4-10-30-19-8-5-15(24)12-18(19)28-20(30)13-29(11-9-14(2)3)23(31)21-16(25)6-7-17(26)22(21)27;1-4-9-29-18-10-14(23)5-8-17(18)27-19(29)12-28(11-13(2)3)22(30)20-15(24)6-7-16(25)21(20)26;1-5-11-26-19-13-17(23)7-8-18(19)24-21(26)14-25(12-10-15(2)3)22(27)20-9-6-16(4)28-20/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3;5-9,13,15,17H,4,10-12,14,16H2,1-3H3;5-8,12,14H,4,9-11,13H2,1-3H3;5-8,10,13H,4,9,11-12H2,1-3H3;6-9,13,15H,5,10-12,14H2,1-4H3.

What are the key properties of 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?

2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 2097.51 g/mol, XLogP of 27.19, 42 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;2,3,6-trifluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 158490695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).