N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide

C128H157Cl3F6N18O9S4 — CID 159387838

IUPACN-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2sccc2Cl)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cscc2OC)nc2cc(F)ccc21
InChIInChI=1S/C23H30FN3O2.C22H28FN3O2S.C22H28FN3O2.C21H25ClFN3OS.2C20H23ClFN3OS/c1-6-10-27-20-8-7-18(24)13-19(20)25-22(27)14-26(11-9-15(2)3)23(28)21-12-16(4)17(5)29-21;1-5-9-26-19-7-6-16(23)11-18(19)24-21(26)12-25(10-8-15(2)3)22(27)17-13-29-14-20(17)28-4;1-6-9-26-19-8-7-17(23)11-18(19)24-21(26)13-25(12-14(2)3)22(27)20-10-15(4)16(5)28-20;1-3-5-6-11-25(21(27)20-16(22)9-12-28-20)14-19-24-17-13-15(23)7-8-18(17)26(19)10-4-2;1-4-8-25-17-6-5-14(22)10-16(17)23-18(25)12-24(11-13(2)3)20(26)19-15(21)7-9-27-19;1-3-5-10-24(20(26)19-15(21)8-11-27-19)13-18-23-16-12-14(22)6-7-17(16)25(18)9-4-2/h7-8,12-13,15H,6,9-11,14H2,1-5H3;6-7,11,13-15H,5,8-10,12H2,1-4H3;7-8,10-11,14H,6,9,12-13H2,1-5H3;7-9,12-13H,3-6,10-11,14H2,1-2H3;5-7,9-10,13H,4,8,11-12H2,1-3H3;6-8,11-12H,3-5,9-10,13H2,1-2H3
InChIKeyLLSOIVDMZSVEQM-UHFFFAOYSA-N
MW2440.40 g/mol
LogP33.40
Rot. Bonds48

About N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide

N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide (PubChem CID 159387838) has the molecular formula C128H157Cl3F6N18O9S4 and a molecular weight of 2440.40 g/mol. Its IUPAC name is N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide
PubChem CID159387838
Molecular FormulaC128H157Cl3F6N18O9S4
Molecular Weight2440.40 g/mol
Exact Mass2437.02
IUPAC NameN-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2sccc2Cl)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cscc2OC)nc2cc(F)ccc21
InChIInChI=1S/C23H30FN3O2.C22H28FN3O2S.C22H28FN3O2.C21H25ClFN3OS.2C20H23ClFN3OS/c1-6-10-27-20-8-7-18(24)13-19(20)25-22(27)14-26(11-9-15(2)3)23(28)21-12-16(4)17(5)29-21;1-5-9-26-19-7-6-16(23)11-18(19)24-21(26)12-25(10-8-15(2)3)22(27)17-13-29-14-20(17)28-4;1-6-9-26-19-8-7-17(23)11-18(19)24-21(26)13-25(12-14(2)3)22(27)20-10-15(4)16(5)28-20;1-3-5-6-11-25(21(27)20-16(22)9-12-28-20)14-19-24-17-13-15(23)7-8-18(17)26(19)10-4-2;1-4-8-25-17-6-5-14(22)10-16(17)23-18(25)12-24(11-13(2)3)20(26)19-15(21)7-9-27-19;1-3-5-10-24(20(26)19-15(21)8-11-27-19)13-18-23-16-12-14(22)6-7-17(16)25(18)9-4-2/h7-8,12-13,15H,6,9-11,14H2,1-5H3;6-7,11,13-15H,5,8-10,12H2,1-4H3;7-8,10-11,14H,6,9,12-13H2,1-5H3;7-9,12-13H,3-6,10-11,14H2,1-2H3;5-7,9-10,13H,4,8,11-12H2,1-3H3;6-8,11-12H,3-5,9-10,13H2,1-2H3
InChIKeyLLSOIVDMZSVEQM-UHFFFAOYSA-N
XLogP33.40
TPSA264.29 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds48
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002440.40
LogP ≤ 533.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide?
The IUPAC name of N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide (CID 159387838) is N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide?
The canonical SMILES for N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide is CCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1sccc1Cl.CCCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CC(C)C)C(=O)c2sccc2Cl)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cc(C)c(C)o2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cscc2OC)nc2cc(F)ccc21.
What is the InChIKey of N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide?
The InChIKey is LLSOIVDMZSVEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2.C22H28FN3O2S.C22H28FN3O2.C21H25ClFN3OS.2C20H23ClFN3OS/c1-6-10-27-20-8-7-18(24)13-19(20)25-22(27)14-26(11-9-15(2)3)23(28)21-12-16(4)17(5)29-21;1-5-9-26-19-7-6-16(23)11-18(19)24-21(26)12-25(10-8-15(2)3)22(27)17-13-29-14-20(17)28-4;1-6-9-26-19-8-7-17(23)11-18(19)24-21(26)13-25(12-14(2)3)22(27)20-10-15(4)16(5)28-20;1-3-5-6-11-25(21(27)20-16(22)9-12-28-20)14-19-24-17-13-15(23)7-8-18(17)26(19)10-4-2;1-4-8-25-17-6-5-14(22)10-16(17)23-18(25)12-24(11-13(2)3)20(26)19-15(21)7-9-27-19;1-3-5-10-24(20(26)19-15(21)8-11-27-19)13-18-23-16-12-14(22)6-7-17(16)25(18)9-4-2/h7-8,12-13,15H,6,9-11,14H2,1-5H3;6-7,11,13-15H,5,8-10,12H2,1-4H3;7-8,10-11,14H,6,9,12-13H2,1-5H3;7-9,12-13H,3-6,10-11,14H2,1-2H3;5-7,9-10,13H,4,8,11-12H2,1-3H3;6-8,11-12H,3-5,9-10,13H2,1-2H3.
What are the key properties of N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide?
N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide has a molecular weight of 2440.40 g/mol, XLogP of 33.40, 48 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylthiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 159387838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).