3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide

C128H142Br2Cl4F6N18O6 — CID 159874092

IUPAC3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CCN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1cccc(F)c1.CC(C)CN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1cccc(F)c1.CCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1ccc(F)c(F)c1.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2ccc(F)cc21.Cc1ccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2C)CC(C)C)cc1
InChIInChI=1S/2C23H27BrFN3O.C21H23ClFN3O.C21H24ClN3O.C20H20ClF2N3O.C20H21ClFN3O/c1-4-11-28-21-14-19(25)8-9-20(21)26-22(28)15-27(12-10-16(2)3)23(29)17-6-5-7-18(24)13-17;1-3-5-6-13-27(23(29)17-8-7-9-18(24)14-17)16-22-26-20-11-10-19(25)15-21(20)28(22)12-4-2;1-14(2)9-10-26(21(27)15-5-4-6-17(23)11-15)13-20-24-18-8-7-16(22)12-19(18)25(20)3;1-14(2)12-25(21(26)16-7-5-15(3)6-8-16)13-20-23-18-10-9-17(22)11-19(18)24(20)4;1-3-4-9-26(20(27)13-5-7-15(22)16(23)10-13)12-19-24-17-8-6-14(21)11-18(17)25(19)2;1-13(2)11-25(20(26)14-5-4-6-16(22)9-14)12-19-23-17-8-7-15(21)10-18(17)24(19)3/h5-9,13-14,16H,4,10-12,15H2,1-3H3;7-11,14-15H,3-6,12-13,16H2,1-2H3;4-8,11-12,14H,9-10,13H2,1-3H3;5-11,14H,12-13H2,1-4H3;5-8,10-11H,3-4,9,12H2,1-2H3;4-10,13H,11-12H2,1-3H3
InChIKeyNSRGXQXKCJOFNI-UHFFFAOYSA-N
MW2444.27 g/mol
LogP31.72
Rot. Bonds39

About 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide

3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 159874092) has the molecular formula C128H142Br2Cl4F6N18O6 and a molecular weight of 2444.27 g/mol. Its IUPAC name is 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID159874092
Molecular FormulaC128H142Br2Cl4F6N18O6
Molecular Weight2444.27 g/mol
Exact Mass2438.84
IUPAC Name3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CCN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1cccc(F)c1.CC(C)CN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1cccc(F)c1.CCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1ccc(F)c(F)c1.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2ccc(F)cc21.Cc1ccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2C)CC(C)C)cc1
InChIInChI=1S/2C23H27BrFN3O.C21H23ClFN3O.C21H24ClN3O.C20H20ClF2N3O.C20H21ClFN3O/c1-4-11-28-21-14-19(25)8-9-20(21)26-22(28)15-27(12-10-16(2)3)23(29)17-6-5-7-18(24)13-17;1-3-5-6-13-27(23(29)17-8-7-9-18(24)14-17)16-22-26-20-11-10-19(25)15-21(20)28(22)12-4-2;1-14(2)9-10-26(21(27)15-5-4-6-17(23)11-15)13-20-24-18-8-7-16(22)12-19(18)25(20)3;1-14(2)12-25(21(26)16-7-5-15(3)6-8-16)13-20-23-18-10-9-17(22)11-19(18)24(20)4;1-3-4-9-26(20(27)13-5-7-15(22)16(23)10-13)12-19-24-17-8-6-14(21)11-18(17)25(19)2;1-13(2)11-25(20(26)14-5-4-6-16(22)9-14)12-19-23-17-8-7-15(21)10-18(17)24(19)3/h5-9,13-14,16H,4,10-12,15H2,1-3H3;7-11,14-15H,3-6,12-13,16H2,1-2H3;4-8,11-12,14H,9-10,13H2,1-3H3;5-11,14H,12-13H2,1-4H3;5-8,10-11H,3-4,9,12H2,1-2H3;4-10,13H,11-12H2,1-3H3
InChIKeyNSRGXQXKCJOFNI-UHFFFAOYSA-N
XLogP31.72
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds39
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.27
LogP ≤ 531.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 159874092) is 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide is CC(C)CCN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1cccc(F)c1.CC(C)CN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1cccc(F)c1.CCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2ccc(Cl)cc2n1C)C(=O)c1ccc(F)c(F)c1.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2ccc(F)cc21.Cc1ccc(C(=O)N(Cc2nc3ccc(Cl)cc3n2C)CC(C)C)cc1.
What is the InChIKey of 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is NSRGXQXKCJOFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27BrFN3O.C21H23ClFN3O.C21H24ClN3O.C20H20ClF2N3O.C20H21ClFN3O/c1-4-11-28-21-14-19(25)8-9-20(21)26-22(28)15-27(12-10-16(2)3)23(29)17-6-5-7-18(24)13-17;1-3-5-6-13-27(23(29)17-8-7-9-18(24)14-17)16-22-26-20-11-10-19(25)15-21(20)28(22)12-4-2;1-14(2)9-10-26(21(27)15-5-4-6-17(23)11-15)13-20-24-18-8-7-16(22)12-19(18)25(20)3;1-14(2)12-25(21(26)16-7-5-15(3)6-8-16)13-20-23-18-10-9-17(22)11-19(18)24(20)4;1-3-4-9-26(20(27)13-5-7-15(22)16(23)10-13)12-19-24-17-8-6-14(21)11-18(17)25(19)2;1-13(2)11-25(20(26)14-5-4-6-16(22)9-14)12-19-23-17-8-7-15(21)10-18(17)24(19)3/h5-9,13-14,16H,4,10-12,15H2,1-3H3;7-11,14-15H,3-6,12-13,16H2,1-2H3;4-8,11-12,14H,9-10,13H2,1-3H3;5-11,14H,12-13H2,1-4H3;5-8,10-11H,3-4,9,12H2,1-2H3;4-10,13H,11-12H2,1-3H3.
What are the key properties of 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide?
3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 2444.27 g/mol, XLogP of 31.72, 39 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluorobenzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 159874092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).