N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide

C137H139BrCl6F4N18O10 — CID 157461878

About N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide

N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide (PubChem CID 157461878) has the molecular formula C137H139BrCl6F4N18O10 and a molecular weight of 2566.35 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide.

Molecular Properties

• Compound Name: N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
• PubChem CID: 157461878
• Molecular Formula: C137H139BrCl6F4N18O10
• Molecular Weight: 2566.35 g/mol
• Exact Mass: 2560.82
• IUPAC Name: N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
• SMILES: C=CCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.C=CCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CC(C)CN(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1ccc(Br)cc1.CC(C)CN(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCn1c(CN(C)C(=O)c2cc(Cl)ccc2Cl)nc2c(F)cccc21
• InChI: InChI=1S/C27H27N3O3.C26H26BrN3O.C22H25ClFN3O2.C22H23ClFN3O2.C21H20Cl2FN3O.C19H18Cl2FN3O/c1-19(2)15-29(27(31)21-12-13-24-25(14-21)33-18-32-24)17-26-28-22-10-6-7-11-23(22)30(26)16-20-8-4-3-5-9-20;1-19(2)16-29(26(31)21-12-14-22(27)15-13-21)18-25-28-23-10-6-7-11-24(23)30(25)17-20-8-4-3-5-9-20;2*1-4-11-26(22(28)16-13-15(23)9-10-19(16)29-3)14-20-25-21-17(24)7-6-8-18(21)27(20)12-5-2;1-3-10-26(21(28)15-12-14(22)8-9-16(15)23)13-19-25-20-17(24)6-5-7-18(20)27(19)11-4-2;1-3-9-25-16-6-4-5-15(22)18(16)23-17(25)11-24(2)19(26)13-10-12(20)7-8-14(13)21/h3-14,19H,15-18H2,1-2H3;3-15,19H,16-18H2,1-2H3;6-10,13H,4-5,11-12,14H2,1-3H3;4,6-10,13H,1,5,11-12,14H2,2-3H3;3,5-9,12H,1,4,10-11,13H2,2H3;4-8,10H,3,9,11H2,1-2H3
• InChIKey: BUADZHILURCFOL-UHFFFAOYSA-N
• XLogP: 32.52
• TPSA: 265.70 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 42
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2566.35
LogP ≤ 5	32.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?

The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide (CID 157461878) is N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide.

What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?

The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.C=CCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CC(C)CN(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1ccc(Br)cc1.CC(C)CN(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCn1c(CN(C)C(=O)c2cc(Cl)ccc2Cl)nc2c(F)cccc21.

What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?

The InChIKey is BUADZHILURCFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3.C26H26BrN3O.C22H25ClFN3O2.C22H23ClFN3O2.C21H20Cl2FN3O.C19H18Cl2FN3O/c1-19(2)15-29(27(31)21-12-13-24-25(14-21)33-18-32-24)17-26-28-22-10-6-7-11-23(22)30(26)16-20-8-4-3-5-9-20;1-19(2)16-29(26(31)21-12-14-22(27)15-13-21)18-25-28-23-10-6-7-11-24(23)30(25)17-20-8-4-3-5-9-20;2*1-4-11-26(22(28)16-13-15(23)9-10-19(16)29-3)14-20-25-21-17(24)7-6-8-18(21)27(20)12-5-2;1-3-10-26(21(28)15-12-14(22)8-9-16(15)23)13-19-25-20-17(24)6-5-7-18(20)27(19)11-4-2;1-3-9-25-16-6-4-5-15(22)18(16)23-17(25)11-24(2)19(26)13-10-12(20)7-8-14(13)21/h3-14,19H,15-18H2,1-2H3;3-15,19H,16-18H2,1-2H3;6-10,13H,4-5,11-12,14H2,1-3H3;4,6-10,13H,1,5,11-12,14H2,2-3H3;3,5-9,12H,1,4,10-11,13H2,2H3;4-8,10H,3,9,11H2,1-2H3.

What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?

N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide has a molecular weight of 2566.35 g/mol, XLogP of 32.52, 42 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 157461878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).