N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide

C165H197F14N21O7 — CID 157244393

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(F)ccc1F.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(F)ccc1F.CCCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(F)ccc2F)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21
InChIInChI=1S/4C24H29F2N3O.3C23H27F2N3O/c1-4-5-14-29-21-12-7-6-11-20(21)27-22(29)16-28(15-13-17(2)3)24(30)18-9-8-10-19(25)23(18)26;1-4-5-13-29-22-9-7-6-8-21(22)27-23(29)16-28(14-12-17(2)3)24(30)19-15-18(25)10-11-20(19)26;1-3-5-9-15-28(24(30)18-11-10-12-19(25)23(18)26)17-22-27-20-13-7-8-14-21(20)29(22)16-6-4-2;1-3-5-9-14-28(24(30)19-16-18(25)12-13-20(19)26)17-23-27-21-10-7-8-11-22(21)29(23)15-6-4-2;1-4-5-13-28-20-12-7-6-11-19(20)26-21(28)15-27(14-16(2)3)23(29)17-9-8-10-18(24)22(17)25;1-4-5-12-28-21-9-7-6-8-20(21)26-22(28)15-27(14-16(2)3)23(29)18-13-17(24)10-11-19(18)25;1-3-5-13-27(23(29)18-15-17(24)11-12-19(18)25)16-22-26-20-9-7-8-10-21(20)28(22)14-6-4-2/h6-12,17H,4-5,13-16H2,1-3H3;6-11,15,17H,4-5,12-14,16H2,1-3H3;7-8,10-14H,3-6,9,15-17H2,1-2H3;7-8,10-13,16H,3-6,9,14-15,17H2,1-2H3;6-12,16H,4-5,13-15H2,1-3H3;6-11,13,16H,4-5,12,14-15H2,1-3H3;7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyAVOVRWKTIHIXFW-UHFFFAOYSA-N
MW2852.50 g/mol
LogP39.88
Rot. Bonds63

About N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide (PubChem CID 157244393) has the molecular formula C165H197F14N21O7 and a molecular weight of 2852.50 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide
PubChem CID157244393
Molecular FormulaC165H197F14N21O7
Molecular Weight2852.50 g/mol
Exact Mass2850.55
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(F)ccc1F.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(F)ccc1F.CCCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(F)ccc2F)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21
InChIInChI=1S/4C24H29F2N3O.3C23H27F2N3O/c1-4-5-14-29-21-12-7-6-11-20(21)27-22(29)16-28(15-13-17(2)3)24(30)18-9-8-10-19(25)23(18)26;1-4-5-13-29-22-9-7-6-8-21(22)27-23(29)16-28(14-12-17(2)3)24(30)19-15-18(25)10-11-20(19)26;1-3-5-9-15-28(24(30)18-11-10-12-19(25)23(18)26)17-22-27-20-13-7-8-14-21(20)29(22)16-6-4-2;1-3-5-9-14-28(24(30)19-16-18(25)12-13-20(19)26)17-23-27-21-10-7-8-11-22(21)29(23)15-6-4-2;1-4-5-13-28-20-12-7-6-11-19(20)26-21(28)15-27(14-16(2)3)23(29)17-9-8-10-18(24)22(17)25;1-4-5-12-28-21-9-7-6-8-20(21)26-22(28)15-27(14-16(2)3)23(29)18-13-17(24)10-11-19(18)25;1-3-5-13-27(23(29)18-15-17(24)11-12-19(18)25)16-22-26-20-9-7-8-10-21(20)28(22)14-6-4-2/h6-12,17H,4-5,13-16H2,1-3H3;6-11,15,17H,4-5,12-14,16H2,1-3H3;7-8,10-14H,3-6,9,15-17H2,1-2H3;7-8,10-13,16H,3-6,9,14-15,17H2,1-2H3;6-12,16H,4-5,13-15H2,1-3H3;6-11,13,16H,4-5,12,14-15H2,1-3H3;7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyAVOVRWKTIHIXFW-UHFFFAOYSA-N
XLogP39.88
TPSA266.91 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds63
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002852.50
LogP ≤ 539.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide with MolForge

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Related Compounds

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4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]-N,N-dimethyl-benzamide
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N,N-dimethyl-4-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
CID 23551475
1,3''-bipyrrolidin-1''-yl(4-((2-phenyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 25031068
(R)-1,3''-bipyrrolidin-1''-yl(4-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
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(3,4-Difluorophenyl)-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]methanone
CID 54584058
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]tridecanediamide
CID 145970174
US10508103, Embodiment 36
CID 132077967
US10508103, Embodiment 20
CID 132078015
US10508103, Embodiment 27
CID 132078018
US10508103, Embodiment 34
CID 132078147
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]undecanediamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide (CID 157244393) is N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide is CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(F)ccc1F.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(F)ccc1F.CCCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(F)ccc2F)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide?
The InChIKey is AVOVRWKTIHIXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H29F2N3O.3C23H27F2N3O/c1-4-5-14-29-21-12-7-6-11-20(21)27-22(29)16-28(15-13-17(2)3)24(30)18-9-8-10-19(25)23(18)26;1-4-5-13-29-22-9-7-6-8-21(22)27-23(29)16-28(14-12-17(2)3)24(30)19-15-18(25)10-11-20(19)26;1-3-5-9-15-28(24(30)18-11-10-12-19(25)23(18)26)17-22-27-20-13-7-8-14-21(20)29(22)16-6-4-2;1-3-5-9-14-28(24(30)19-16-18(25)12-13-20(19)26)17-23-27-21-10-7-8-11-22(21)29(23)15-6-4-2;1-4-5-13-28-20-12-7-6-11-19(20)26-21(28)15-27(14-16(2)3)23(29)17-9-8-10-18(24)22(17)25;1-4-5-12-28-21-9-7-6-8-20(21)26-22(28)15-27(14-16(2)3)23(29)18-13-17(24)10-11-19(18)25;1-3-5-13-27(23(29)18-15-17(24)11-12-19(18)25)16-22-26-20-9-7-8-10-21(20)28(22)14-6-4-2/h6-12,17H,4-5,13-16H2,1-3H3;6-11,15,17H,4-5,12-14,16H2,1-3H3;7-8,10-14H,3-6,9,15-17H2,1-2H3;7-8,10-13,16H,3-6,9,14-15,17H2,1-2H3;6-12,16H,4-5,13-15H2,1-3H3;6-11,13,16H,4-5,12,14-15H2,1-3H3;7-12,15H,3-6,13-14,16H2,1-2H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide has a molecular weight of 2852.50 g/mol, XLogP of 39.88, 63 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 157244393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).