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

C135H151ClF16N18O6 — CID 158311660

IUPACN-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cccc(F)c1F.CCCn1c(CN(CC(C)C)C(=O)c2ccc(F)c(F)c2)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(F)c2)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2Cl)nc2c(F)cccc21
InChIInChI=1S/C23H27ClFN3O.2C23H26F3N3O.3C22H24F3N3O/c1-4-13-28-20-11-7-10-19(25)22(20)26-21(28)15-27(14-12-16(2)3)23(29)17-8-5-6-9-18(17)24;1-4-11-29-20-7-5-6-18(25)22(20)27-21(29)14-28(12-10-15(2)3)23(30)16-8-9-17(24)19(26)13-16;1-3-5-6-13-28(23(30)16-10-11-17(24)19(26)14-16)15-21-27-22-18(25)8-7-9-20(22)29(21)12-4-2;1-4-10-28-19-7-5-6-17(24)21(19)26-20(28)13-27(12-14(2)3)22(29)15-8-9-16(23)18(25)11-15;1-3-5-13-27(22(29)15-8-6-9-16(23)20(15)25)14-19-26-21-17(24)10-7-11-18(21)28(19)12-4-2;1-3-5-12-27(22(29)15-9-10-16(23)18(25)13-15)14-20-26-21-17(24)7-6-8-19(21)28(20)11-4-2/h5-11,16H,4,12-15H2,1-3H3;5-9,13,15H,4,10-12,14H2,1-3H3;7-11,14H,3-6,12-13,15H2,1-2H3;5-9,11,14H,4,10,12-13H2,1-3H3;6-11H,3-5,12-14H2,1-2H3;6-10,13H,3-5,11-12,14H2,1-2H3
InChIKeyGNTCVMNLDWRKPU-UHFFFAOYSA-N
MW2461.23 g/mol
LogP32.95
Rot. Bonds48

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

N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (PubChem CID 158311660) has the molecular formula C135H151ClF16N18O6 and a molecular weight of 2461.23 g/mol. Its IUPAC name is N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.

Molecular Properties

Compound NameN-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
PubChem CID158311660
Molecular FormulaC135H151ClF16N18O6
Molecular Weight2461.23 g/mol
Exact Mass2459.15
IUPAC NameN-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cccc(F)c1F.CCCn1c(CN(CC(C)C)C(=O)c2ccc(F)c(F)c2)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(F)c2)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2Cl)nc2c(F)cccc21
InChIInChI=1S/C23H27ClFN3O.2C23H26F3N3O.3C22H24F3N3O/c1-4-13-28-20-11-7-10-19(25)22(20)26-21(28)15-27(14-12-16(2)3)23(29)17-8-5-6-9-18(17)24;1-4-11-29-20-7-5-6-18(25)22(20)27-21(29)14-28(12-10-15(2)3)23(30)16-8-9-17(24)19(26)13-16;1-3-5-6-13-28(23(30)16-10-11-17(24)19(26)14-16)15-21-27-22-18(25)8-7-9-20(22)29(21)12-4-2;1-4-10-28-19-7-5-6-17(24)21(19)26-20(28)13-27(12-14(2)3)22(29)15-8-9-16(23)18(25)11-15;1-3-5-13-27(22(29)15-8-6-9-16(23)20(15)25)14-19-26-21-17(24)10-7-11-18(21)28(19)12-4-2;1-3-5-12-27(22(29)15-9-10-16(23)18(25)13-15)14-20-26-21-17(24)7-6-8-19(21)28(20)11-4-2/h5-11,16H,4,12-15H2,1-3H3;5-9,13,15H,4,10-12,14H2,1-3H3;7-11,14H,3-6,12-13,15H2,1-2H3;5-9,11,14H,4,10,12-13H2,1-3H3;6-11H,3-5,12-14H2,1-2H3;6-10,13H,3-5,11-12,14H2,1-2H3
InChIKeyGNTCVMNLDWRKPU-UHFFFAOYSA-N
XLogP32.95
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds48
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.23
LogP ≤ 532.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The IUPAC name of N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide (CID 158311660) is N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide.
What is the SMILES notation for N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The canonical SMILES for N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is CCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1cccc(F)c1F.CCCn1c(CN(CC(C)C)C(=O)c2ccc(F)c(F)c2)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(F)c2)nc2c(F)cccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2Cl)nc2c(F)cccc21.
What is the InChIKey of N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
The InChIKey is GNTCVMNLDWRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O.2C23H26F3N3O.3C22H24F3N3O/c1-4-13-28-20-11-7-10-19(25)22(20)26-21(28)15-27(14-12-16(2)3)23(29)17-8-5-6-9-18(17)24;1-4-11-29-20-7-5-6-18(25)22(20)27-21(29)14-28(12-10-15(2)3)23(30)16-8-9-17(24)19(26)13-16;1-3-5-6-13-28(23(30)16-10-11-17(24)19(26)14-16)15-21-27-22-18(25)8-7-9-20(22)29(21)12-4-2;1-4-10-28-19-7-5-6-17(24)21(19)26-20(28)13-27(12-14(2)3)22(29)15-8-9-16(23)18(25)11-15;1-3-5-13-27(22(29)15-8-6-9-16(23)20(15)25)14-19-26-21-17(24)10-7-11-18(21)28(19)12-4-2;1-3-5-12-27(22(29)15-9-10-16(23)18(25)13-15)14-20-26-21-17(24)7-6-8-19(21)28(20)11-4-2/h5-11,16H,4,12-15H2,1-3H3;5-9,13,15H,4,10-12,14H2,1-3H3;7-11,14H,3-6,12-13,15H2,1-2H3;5-9,11,14H,4,10,12-13H2,1-3H3;6-11H,3-5,12-14H2,1-2H3;6-10,13H,3-5,11-12,14H2,1-2H3.
What are the key properties of N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide?
N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide has a molecular weight of 2461.23 g/mol, XLogP of 32.95, 48 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide is sourced from PubChem (CID 158311660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).