N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide

C140H168Cl6F6N18O6 — CID 159601483

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide
SMILESCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc(C)c(Cl)c1.CCCCN1c2ccccc2NC1CN(CC(C)C)C(=O)c1cc(F)c(F)cc1F.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccccc21.CCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2cc(F)c(F)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C25H32ClN3O.2C24H30ClN3O.C23H28F3N3O.C22H25Cl2N3O.C22H23ClF3N3O/c1-5-6-14-29-23-10-8-7-9-22(23)27-24(29)17-28(15-13-18(2)3)25(30)20-12-11-19(4)21(26)16-20;1-5-6-13-28-22-10-8-7-9-21(22)26-23(28)16-27(15-17(2)3)24(29)19-12-11-18(4)20(25)14-19;1-4-6-14-27(24(29)19-13-12-18(3)20(25)16-19)17-23-26-21-10-8-9-11-22(21)28(23)15-7-5-2;1-4-5-10-29-21-9-7-6-8-20(21)27-22(29)14-28(13-15(2)3)23(30)16-11-18(25)19(26)12-17(16)24;1-5-27-20-11-17(23)8-9-19(20)25-21(27)13-26(12-14(2)3)22(28)16-7-6-15(4)18(24)10-16;1-4-29-20-9-14(23)5-6-19(20)27-21(29)12-28(8-7-13(2)3)22(30)15-10-17(25)18(26)11-16(15)24/h7-12,16,18H,5-6,13-15,17H2,1-4H3;7-12,14,17H,5-6,13,15-16H2,1-4H3;8-13,16H,4-7,14-15,17H2,1-3H3;6-9,11-12,15,22,27H,4-5,10,13-14H2,1-3H3;6-11,14H,5,12-13H2,1-4H3;5-6,9-11,13H,4,7-8,12H2,1-3H3
InChIKeyMLNQRHXDUIOXLU-UHFFFAOYSA-N
MW2525.71 g/mol
LogP35.87
Rot. Bonds47

About N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide (PubChem CID 159601483) has the molecular formula C140H168Cl6F6N18O6 and a molecular weight of 2525.71 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide
PubChem CID159601483
Molecular FormulaC140H168Cl6F6N18O6
Molecular Weight2525.71 g/mol
Exact Mass2521.14
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide
SMILESCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc(C)c(Cl)c1.CCCCN1c2ccccc2NC1CN(CC(C)C)C(=O)c1cc(F)c(F)cc1F.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccccc21.CCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2cc(F)c(F)cc2F)nc2ccc(Cl)cc21
InChIInChI=1S/C25H32ClN3O.2C24H30ClN3O.C23H28F3N3O.C22H25Cl2N3O.C22H23ClF3N3O/c1-5-6-14-29-23-10-8-7-9-22(23)27-24(29)17-28(15-13-18(2)3)25(30)20-12-11-19(4)21(26)16-20;1-5-6-13-28-22-10-8-7-9-21(22)26-23(28)16-27(15-17(2)3)24(29)19-12-11-18(4)20(25)14-19;1-4-6-14-27(24(29)19-13-12-18(3)20(25)16-19)17-23-26-21-10-8-9-11-22(21)28(23)15-7-5-2;1-4-5-10-29-21-9-7-6-8-20(21)27-22(29)14-28(13-15(2)3)23(30)16-11-18(25)19(26)12-17(16)24;1-5-27-20-11-17(23)8-9-19(20)25-21(27)13-26(12-14(2)3)22(28)16-7-6-15(4)18(24)10-16;1-4-29-20-9-14(23)5-6-19(20)27-21(29)12-28(8-7-13(2)3)22(30)15-10-17(25)18(26)11-16(15)24/h7-12,16,18H,5-6,13-15,17H2,1-4H3;7-12,14,17H,5-6,13,15-16H2,1-4H3;8-13,16H,4-7,14-15,17H2,1-3H3;6-9,11-12,15,22,27H,4-5,10,13-14H2,1-3H3;6-11,14H,5,12-13H2,1-4H3;5-6,9-11,13H,4,7-8,12H2,1-3H3
InChIKeyMLNQRHXDUIOXLU-UHFFFAOYSA-N
XLogP35.87
TPSA226.23 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds47
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002525.71
LogP ≤ 535.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide (CID 159601483) is N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide is CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc(C)c(Cl)c1.CCCCN1c2ccccc2NC1CN(CC(C)C)C(=O)c1cc(F)c(F)cc1F.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccccc21.CCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2cc(F)c(F)cc2F)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide?
The InChIKey is MLNQRHXDUIOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O.2C24H30ClN3O.C23H28F3N3O.C22H25Cl2N3O.C22H23ClF3N3O/c1-5-6-14-29-23-10-8-7-9-22(23)27-24(29)17-28(15-13-18(2)3)25(30)20-12-11-19(4)21(26)16-20;1-5-6-13-28-22-10-8-7-9-21(22)26-23(28)16-27(15-17(2)3)24(29)19-12-11-18(4)20(25)14-19;1-4-6-14-27(24(29)19-13-12-18(3)20(25)16-19)17-23-26-21-10-8-9-11-22(21)28(23)15-7-5-2;1-4-5-10-29-21-9-7-6-8-20(21)27-22(29)14-28(13-15(2)3)23(30)16-11-18(25)19(26)12-17(16)24;1-5-27-20-11-17(23)8-9-19(20)25-21(27)13-26(12-14(2)3)22(28)16-7-6-15(4)18(24)10-16;1-4-29-20-9-14(23)5-6-19(20)27-21(29)12-28(8-7-13(2)3)22(30)15-10-17(25)18(26)11-16(15)24/h7-12,16,18H,5-6,13-15,17H2,1-4H3;7-12,14,17H,5-6,13,15-16H2,1-4H3;8-13,16H,4-7,14-15,17H2,1-3H3;6-9,11-12,15,22,27H,4-5,10,13-14H2,1-3H3;6-11,14H,5,12-13H2,1-4H3;5-6,9-11,13H,4,7-8,12H2,1-3H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide has a molecular weight of 2525.71 g/mol, XLogP of 35.87, 47 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methyl-N-(2-methylpropyl)benzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methylbenzamide;N-[(3-butyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trifluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 159601483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).