N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide

C133H165Cl2F3N18O7S6 — CID 158091361

About N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 158091361) has the molecular formula C133H165Cl2F3N18O7S6 and a molecular weight of 2448.20 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
• PubChem CID: 158091361
• Molecular Formula: C133H165Cl2F3N18O7S6
• Molecular Weight: 2448.20 g/mol
• Exact Mass: 2445.08
• IUPAC Name: N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
• SMILES: C=CCn1c(CN(CC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1sccc1Cl.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(SC)s2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc(SC)s2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2sccc2Cl)nc2ccccc21
• InChI: InChI=1S/C23H31N3OS2.2C22H28ClN3OS.C22H22F3N3O.C22H27N3O2.C22H29N3OS2/c1-5-6-14-26-19-10-8-7-9-18(19)24-21(26)16-25(15-13-17(2)3)23(27)20-11-12-22(28-4)29-20;1-4-5-12-26-19-9-7-6-8-18(19)24-20(26)15-25(13-10-16(2)3)22(27)21-17(23)11-14-28-21;1-3-5-9-13-25(22(27)21-17(23)12-15-28-21)16-20-24-18-10-7-8-11-19(18)26(20)14-6-4-2;1-4-11-28-18-8-6-5-7-17(18)26-19(28)13-27(12-14(2)3)22(29)20-15(23)9-10-16(24)21(20)25;1-6-11-25-19-10-8-7-9-18(19)23-21(25)14-24(13-15(2)3)22(26)20-12-16(4)17(5)27-20;1-5-6-13-25-18-10-8-7-9-17(18)23-20(25)15-24(14-16(2)3)22(26)19-11-12-21(27-4)28-19/h7-12,17H,5-6,13-16H2,1-4H3;6-9,11,14,16H,4-5,10,12-13,15H2,1-3H3;7-8,10-12,15H,3-6,9,13-14,16H2,1-2H3;4-10,14H,1,11-13H2,2-3H3;6-10,12,15H,1,11,13-14H2,2-5H3;7-12,16H,5-6,13-15H2,1-4H3
• InChIKey: FODHKOWEXJHYMZ-UHFFFAOYSA-N
• XLogP: 34.52
• TPSA: 241.92 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 52
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.20
LogP ≤ 5	34.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?

The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide (CID 158091361) is N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide.

What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?

The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide is C=CCn1c(CN(CC(C)C)C(=O)c2c(F)ccc(F)c2F)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1sccc1Cl.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(SC)s2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc(SC)s2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2sccc2Cl)nc2ccccc21.

What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?

The InChIKey is FODHKOWEXJHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3OS2.2C22H28ClN3OS.C22H22F3N3O.C22H27N3O2.C22H29N3OS2/c1-5-6-14-26-19-10-8-7-9-18(19)24-21(26)16-25(15-13-17(2)3)23(27)20-11-12-22(28-4)29-20;1-4-5-12-26-19-9-7-6-8-18(19)24-20(26)15-25(13-10-16(2)3)22(27)21-17(23)11-14-28-21;1-3-5-9-13-25(22(27)21-17(23)12-15-28-21)16-20-24-18-10-7-8-11-19(18)26(20)14-6-4-2;1-4-11-28-18-8-6-5-7-17(18)26-19(28)13-27(12-14(2)3)22(29)20-15(23)9-10-16(24)21(20)25;1-6-11-25-19-10-8-7-9-18(19)23-21(25)14-24(13-15(2)3)22(26)20-12-16(4)17(5)27-20;1-5-6-13-25-18-10-8-7-9-17(18)23-20(25)15-24(14-16(2)3)22(26)19-11-12-21(27-4)28-19/h7-12,17H,5-6,13-16H2,1-4H3;6-9,11,14,16H,4-5,10,12-13,15H2,1-3H3;7-8,10-12,15H,3-6,9,13-14,16H2,1-2H3;4-10,14H,1,11-13H2,2-3H3;6-10,12,15H,1,11,13-14H2,2-5H3;7-12,16H,5-6,13-15H2,1-4H3.

What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?

N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 2448.20 g/mol, XLogP of 34.52, 52 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-N-pentylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-5-methylsulfanylthiophene-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;4,5-dimethyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]furan-2-carboxamide;2,3,6-trifluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 158091361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).