N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide

C127H156F6N18O7S5 — CID 158742373

IUPACN-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1ccsc1.CCCn1c(CN(CC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21
InChIInChI=1S/C25H32FN3O2.2C21H26FN3OS.3C20H24FN3OS/c1-5-12-29-23-10-9-20(26)16-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4;1-4-10-25-18-13-16(22)7-8-17(18)23-20(25)14-24(11-9-15(2)3)21(26)19-6-5-12-27-19;1-3-5-6-12-24(21(26)19-8-7-13-27-19)15-20-23-17-10-9-16(22)14-18(17)25(20)11-4-2;1-4-9-24-17-11-15(21)7-8-16(17)22-19(24)13-23(12-14(2)3)20(25)18-6-5-10-26-18;1-3-5-11-23(20(25)18-7-6-12-26-18)14-19-22-16-9-8-15(21)13-17(16)24(19)10-4-2;1-3-5-10-23(20(25)15-8-11-26-14-15)13-19-22-17-7-6-16(21)12-18(17)24(19)9-4-2/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3;5-8,12-13,15H,4,9-11,14H2,1-3H3;7-10,13-14H,3-6,11-12,15H2,1-2H3;5-8,10-11,14H,4,9,12-13H2,1-3H3;6-9,12-13H,3-5,10-11,14H2,1-2H3;6-8,11-12,14H,3-5,9-10,13H2,1-2H3
InChIKeyIMLNJFTYYMLZID-UHFFFAOYSA-N
MW2321.09 g/mol
LogP31.15
Rot. Bonds50

About N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide

N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide (PubChem CID 158742373) has the molecular formula C127H156F6N18O7S5 and a molecular weight of 2321.09 g/mol. Its IUPAC name is N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide
PubChem CID158742373
Molecular FormulaC127H156F6N18O7S5
Molecular Weight2321.09 g/mol
Exact Mass2319.09
IUPAC NameN-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1ccsc1.CCCn1c(CN(CC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21
InChIInChI=1S/C25H32FN3O2.2C21H26FN3OS.3C20H24FN3OS/c1-5-12-29-23-10-9-20(26)16-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4;1-4-10-25-18-13-16(22)7-8-17(18)23-20(25)14-24(11-9-15(2)3)21(26)19-6-5-12-27-19;1-3-5-6-12-24(21(26)19-8-7-13-27-19)15-20-23-17-10-9-16(22)14-18(17)25(20)11-4-2;1-4-9-24-17-11-15(21)7-8-16(17)22-19(24)13-23(12-14(2)3)20(25)18-6-5-10-26-18;1-3-5-11-23(20(25)18-7-6-12-26-18)14-19-22-16-9-8-15(21)13-17(16)24(19)10-4-2;1-3-5-10-23(20(25)15-8-11-26-14-15)13-19-22-17-7-6-16(21)12-18(17)24(19)9-4-2/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3;5-8,12-13,15H,4,9-11,14H2,1-3H3;7-10,13-14H,3-6,11-12,15H2,1-2H3;5-8,10-11,14H,4,9,12-13H2,1-3H3;6-9,12-13H,3-5,10-11,14H2,1-2H3;6-8,11-12,14H,3-5,9-10,13H2,1-2H3
InChIKeyIMLNJFTYYMLZID-UHFFFAOYSA-N
XLogP31.15
TPSA238.01 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds50
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002321.09
LogP ≤ 531.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide?
The IUPAC name of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide (CID 158742373) is N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide is CCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1ccsc1.CCCn1c(CN(CC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccc(F)cc21.
What is the InChIKey of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide?
The InChIKey is IMLNJFTYYMLZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2.2C21H26FN3OS.3C20H24FN3OS/c1-5-12-29-23-10-9-20(26)16-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4;1-4-10-25-18-13-16(22)7-8-17(18)23-20(25)14-24(11-9-15(2)3)21(26)19-6-5-12-27-19;1-3-5-6-12-24(21(26)19-8-7-13-27-19)15-20-23-17-10-9-16(22)14-18(17)25(20)11-4-2;1-4-9-24-17-11-15(21)7-8-16(17)22-19(24)13-23(12-14(2)3)20(25)18-6-5-10-26-18;1-3-5-11-23(20(25)18-7-6-12-26-18)14-19-22-16-9-8-15(21)13-17(16)24(19)10-4-2;1-3-5-10-23(20(25)15-8-11-26-14-15)13-19-22-17-7-6-16(21)12-18(17)24(19)9-4-2/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3;5-8,12-13,15H,4,9-11,14H2,1-3H3;7-10,13-14H,3-6,11-12,15H2,1-2H3;5-8,10-11,14H,4,9,12-13H2,1-3H3;6-9,12-13H,3-5,10-11,14H2,1-2H3;6-8,11-12,14H,3-5,9-10,13H2,1-2H3.
What are the key properties of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide?
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide has a molecular weight of 2321.09 g/mol, XLogP of 31.15, 50 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 158742373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).