3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide

C139H134Cl9F10N21O9 — CID 158056817

About 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide

3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide (PubChem CID 158056817) has the molecular formula C139H134Cl9F10N21O9 and a molecular weight of 2751.80 g/mol. Its IUPAC name is 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
• PubChem CID: 158056817
• Molecular Formula: C139H134Cl9F10N21O9
• Molecular Weight: 2751.80 g/mol
• Exact Mass: 2745.77
• IUPAC Name: 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
• SMILES: C=CCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1cc(F)ccc1F.C=CCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)c(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)c(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)cc1F.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc2c(c1)OCO2.CCn1c(CN(C)C(=O)c2cc(F)ccc2F)nc2ccc(Cl)cc21
• InChI: InChI=1S/C21H22ClN3O3.C20H20Cl2FN3O.C20H18Cl2FN3O.C20H20ClF2N3O.C20H18ClF2N3O.C20H20ClF2N3O.C18H16ClF2N3O/c1-3-9-24(21(26)14-5-8-18-19(10-14)28-13-27-18)12-20-23-16-7-6-15(22)11-17(16)25(20)4-2;2*1-3-9-25(20(27)13-5-7-16(23)15(22)10-13)12-19-24-17-8-6-14(21)11-18(17)26(19)4-2;2*1-3-9-25(20(27)15-11-14(22)6-7-16(15)23)12-19-24-17-8-5-13(21)10-18(17)26(19)4-2;1-3-9-25(20(27)15-7-6-14(22)11-16(15)23)12-19-24-17-8-5-13(21)10-18(17)26(19)4-2;1-3-24-16-8-11(19)4-7-15(16)22-17(24)10-23(2)18(25)13-9-12(20)5-6-14(13)21/h5-8,10-11H,3-4,9,12-13H2,1-2H3;5-8,10-11H,3-4,9,12H2,1-2H3;3,5-8,10-11H,1,4,9,12H2,2H3;5-8,10-11H,3-4,9,12H2,1-2H3;3,5-8,10-11H,1,4,9,12H2,2H3;5-8,10-11H,3-4,9,12H2,1-2H3;4-9H,3,10H2,1-2H3
• InChIKey: FKDPISWYBAVVFN-UHFFFAOYSA-N
• XLogP: 34.53
• TPSA: 285.37 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2751.80
LogP ≤ 5	34.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

The IUPAC name of 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide (CID 158056817) is 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide is C=CCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1cc(F)ccc1F.C=CCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)c(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)c(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)cc1F.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc2c(c1)OCO2.CCn1c(CN(C)C(=O)c2cc(F)ccc2F)nc2ccc(Cl)cc21.

What is the InChIKey of 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

The InChIKey is FKDPISWYBAVVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3.C20H20Cl2FN3O.C20H18Cl2FN3O.C20H20ClF2N3O.C20H18ClF2N3O.C20H20ClF2N3O.C18H16ClF2N3O/c1-3-9-24(21(26)14-5-8-18-19(10-14)28-13-27-18)12-20-23-16-7-6-15(22)11-17(16)25(20)4-2;2*1-3-9-25(20(27)13-5-7-16(23)15(22)10-13)12-19-24-17-8-6-14(21)11-18(17)26(19)4-2;2*1-3-9-25(20(27)15-11-14(22)6-7-16(15)23)12-19-24-17-8-5-13(21)10-18(17)26(19)4-2;1-3-9-25(20(27)15-7-6-14(22)11-16(15)23)12-19-24-17-8-5-13(21)10-18(17)26(19)4-2;1-3-24-16-8-11(19)4-7-15(16)22-17(24)10-23(2)18(25)13-9-12(20)5-6-14(13)21/h5-8,10-11H,3-4,9,12-13H2,1-2H3;5-8,10-11H,3-4,9,12H2,1-2H3;3,5-8,10-11H,1,4,9,12H2,2H3;5-8,10-11H,3-4,9,12H2,1-2H3;3,5-8,10-11H,1,4,9,12H2,2H3;5-8,10-11H,3-4,9,12H2,1-2H3;4-9H,3,10H2,1-2H3.

What are the key properties of 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 2751.80 g/mol, XLogP of 34.53, 40 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 158056817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).