N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide

C140H165Cl6FN18O13S2 — CID 159635713

About N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide

N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide (PubChem CID 159635713) has the molecular formula C140H165Cl6FN18O13S2 and a molecular weight of 2603.82 g/mol. Its IUPAC name is N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide
• PubChem CID: 159635713
• Molecular Formula: C140H165Cl6FN18O13S2
• Molecular Weight: 2603.82 g/mol
• Exact Mass: 2599.04
• IUPAC Name: N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide
• SMILES: CCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(OC)c(F)c1.CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(SC)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(SC)cc2)nc2ccc(Cl)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccc(Cl)cc21
• InChI: InChI=1S/2C24H28ClN3O3.C23H27ClFN3O2.C23H26ClN3O3.2C23H28ClN3OS/c1-4-10-28-20-13-18(25)6-7-19(20)26-23(28)14-27(11-9-16(2)3)24(29)17-5-8-21-22(12-17)31-15-30-21;1-3-5-6-12-27(24(29)17-7-10-21-22(13-17)31-16-30-21)15-23-26-19-9-8-18(25)14-20(19)28(23)11-4-2;1-4-6-12-27(23(29)16-7-10-21(30-3)18(25)13-16)15-22-26-19-9-8-17(24)14-20(19)28(22)11-5-2;1-4-9-27-19-11-17(24)6-7-18(19)25-22(27)13-26(12-15(2)3)23(28)16-5-8-20-21(10-16)30-14-29-20;1-5-12-27-21-13-18(24)8-11-20(21)25-22(27)15-26(14-16(2)3)23(28)17-6-9-19(29-4)10-7-17;1-4-6-14-26(23(28)17-7-10-19(29-3)11-8-17)16-22-25-20-12-9-18(24)15-21(20)27(22)13-5-2/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3;7-10,13-14H,3-6,11-12,15-16H2,1-2H3;7-10,13-14H,4-6,11-12,15H2,1-3H3;5-8,10-11,15H,4,9,12-14H2,1-3H3;6-11,13,16H,5,12,14-15H2,1-4H3;7-12,15H,4-6,13-14,16H2,1-3H3
• InChIKey: MPSGAPVOMXZQLZ-UHFFFAOYSA-N
• XLogP: 34.38
• TPSA: 293.39 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 50
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2603.82
LogP ≤ 5	34.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide (CID 159635713) is N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide is CCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(OC)c(F)c1.CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(SC)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(SC)cc2)nc2ccc(Cl)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccc(Cl)cc21.

What is the InChIKey of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide?

The InChIKey is MPSGAPVOMXZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H28ClN3O3.C23H27ClFN3O2.C23H26ClN3O3.2C23H28ClN3OS/c1-4-10-28-20-13-18(25)6-7-19(20)26-23(28)14-27(11-9-16(2)3)24(29)17-5-8-21-22(12-17)31-15-30-21;1-3-5-6-12-27(24(29)17-7-10-21-22(13-17)31-16-30-21)15-23-26-19-9-8-18(25)14-20(19)28(23)11-4-2;1-4-6-12-27(23(29)16-7-10-21(30-3)18(25)13-16)15-22-26-19-9-8-17(24)14-20(19)28(22)11-5-2;1-4-9-27-19-11-17(24)6-7-18(19)25-22(27)13-26(12-15(2)3)23(28)16-5-8-20-21(10-16)30-14-29-20;1-5-12-27-21-13-18(24)8-11-20(21)25-22(27)15-26(14-16(2)3)23(28)17-6-9-19(29-4)10-7-17;1-4-6-14-26(23(28)17-7-10-19(29-3)11-8-17)16-22-25-20-12-9-18(24)15-21(20)27(22)13-5-2/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3;7-10,13-14H,3-6,11-12,15-16H2,1-2H3;7-10,13-14H,4-6,11-12,15H2,1-3H3;5-8,10-11,15H,4,9,12-14H2,1-3H3;6-11,13,16H,5,12,14-15H2,1-4H3;7-12,15H,4-6,13-14,16H2,1-3H3.

What are the key properties of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide?

N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 2603.82 g/mol, XLogP of 34.38, 50 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methoxybenzamide;N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 159635713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).