N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide

C135H150F18N18O6 — CID 157264870

IUPACN-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2c(F)cccc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(F)c2F)nc2c(F)cccc21
InChIInChI=1S/3C23H26F3N3O.3C22H24F3N3O/c1-4-12-29-19-10-6-9-18(25)22(19)27-20(29)14-28(13-11-15(2)3)23(30)16-7-5-8-17(24)21(16)26;1-3-5-6-14-28(23(30)16-9-7-10-17(24)21(16)26)15-20-27-22-18(25)11-8-12-19(22)29(20)13-4-2;1-3-5-6-13-28(23(30)17-14-16(24)10-11-18(17)25)15-21-27-22-19(26)8-7-9-20(22)29(21)12-4-2;1-4-11-28-18-10-6-9-17(24)21(18)26-19(28)13-27(12-14(2)3)22(29)15-7-5-8-16(23)20(15)25;1-4-10-28-19-7-5-6-18(25)21(19)26-20(28)13-27(12-14(2)3)22(29)16-11-15(23)8-9-17(16)24;1-3-5-12-27(22(29)16-13-15(23)9-10-17(16)24)14-20-26-21-18(25)7-6-8-19(21)28(20)11-4-2/h5-10,15H,4,11-14H2,1-3H3;7-12H,3-6,13-15H2,1-2H3;7-11,14H,3-6,12-13,15H2,1-2H3;5-10,14H,4,11-13H2,1-3H3;5-9,11,14H,4,10,12-13H2,1-3H3;6-10,13H,3-5,11-12,14H2,1-2H3
InChIKeyAXWNPHPGRMMJRJ-UHFFFAOYSA-N
MW2462.77 g/mol
LogP32.57
Rot. Bonds48

About N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide

N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (PubChem CID 157264870) has the molecular formula C135H150F18N18O6 and a molecular weight of 2462.77 g/mol. Its IUPAC name is N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.

Molecular Properties

Compound NameN-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
PubChem CID157264870
Molecular FormulaC135H150F18N18O6
Molecular Weight2462.77 g/mol
Exact Mass2461.17
IUPAC NameN-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2c(F)cccc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(F)c2F)nc2c(F)cccc21
InChIInChI=1S/3C23H26F3N3O.3C22H24F3N3O/c1-4-12-29-19-10-6-9-18(25)22(19)27-20(29)14-28(13-11-15(2)3)23(30)16-7-5-8-17(24)21(16)26;1-3-5-6-14-28(23(30)16-9-7-10-17(24)21(16)26)15-20-27-22-18(25)11-8-12-19(22)29(20)13-4-2;1-3-5-6-13-28(23(30)17-14-16(24)10-11-18(17)25)15-21-27-22-19(26)8-7-9-20(22)29(21)12-4-2;1-4-11-28-18-10-6-9-17(24)21(18)26-19(28)13-27(12-14(2)3)22(29)15-7-5-8-16(23)20(15)25;1-4-10-28-19-7-5-6-18(25)21(19)26-20(28)13-27(12-14(2)3)22(29)16-11-15(23)8-9-17(16)24;1-3-5-12-27(22(29)16-13-15(23)9-10-17(16)24)14-20-26-21-18(25)7-6-8-19(21)28(20)11-4-2/h5-10,15H,4,11-14H2,1-3H3;7-12H,3-6,13-15H2,1-2H3;7-11,14H,3-6,12-13,15H2,1-2H3;5-10,14H,4,11-13H2,1-3H3;5-9,11,14H,4,10,12-13H2,1-3H3;6-10,13H,3-5,11-12,14H2,1-2H3
InChIKeyAXWNPHPGRMMJRJ-UHFFFAOYSA-N
XLogP32.57
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds48
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002462.77
LogP ≤ 532.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide with MolForge

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Related Compounds

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CID 25031073
4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]-N,N-dimethyl-benzamide
CID 15956501
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
CID 25032212
(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
CID 145968592

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The IUPAC name of N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (CID 157264870) is N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.
What is the SMILES notation for N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The canonical SMILES for N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is CCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2F)nc2c(F)cccc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(F)c2F)nc2c(F)cccc21.
What is the InChIKey of N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The InChIKey is AXWNPHPGRMMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H26F3N3O.3C22H24F3N3O/c1-4-12-29-19-10-6-9-18(25)22(19)27-20(29)14-28(13-11-15(2)3)23(30)16-7-5-8-17(24)21(16)26;1-3-5-6-14-28(23(30)16-9-7-10-17(24)21(16)26)15-20-27-22-18(25)11-8-12-19(22)29(20)13-4-2;1-3-5-6-13-28(23(30)17-14-16(24)10-11-18(17)25)15-21-27-22-19(26)8-7-9-20(22)29(21)12-4-2;1-4-11-28-18-10-6-9-17(24)21(18)26-19(28)13-27(12-14(2)3)22(29)15-7-5-8-16(23)20(15)25;1-4-10-28-19-7-5-6-18(25)21(19)26-20(28)13-27(12-14(2)3)22(29)16-11-15(23)8-9-17(16)24;1-3-5-12-27(22(29)16-13-15(23)9-10-17(16)24)14-20-26-21-18(25)7-6-8-19(21)28(20)11-4-2/h5-10,15H,4,11-14H2,1-3H3;7-12H,3-6,13-15H2,1-2H3;7-11,14H,3-6,12-13,15H2,1-2H3;5-10,14H,4,11-13H2,1-3H3;5-9,11,14H,4,10,12-13H2,1-3H3;6-10,13H,3-5,11-12,14H2,1-2H3.
What are the key properties of N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide has a molecular weight of 2462.77 g/mol, XLogP of 32.57, 48 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;2,5-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is sourced from PubChem (CID 157264870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).