N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide

C134H166F8N18O6S4 — CID 159185472

IUPACN-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(C)s1.CCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(C)s1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)s2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2ccc(F)cc2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(F)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2cc(F)ccc21
InChIInChI=1S/2C24H29F2N3O.2C22H28FN3OS.2C21H26FN3OS/c1-4-12-29-22-10-9-20(26)15-21(22)27-23(29)16-28(13-11-17(2)3)24(30)14-18-5-7-19(25)8-6-18;1-4-11-29-22-9-8-20(26)15-21(22)27-23(29)16-28(12-10-17(2)3)24(30)14-18-6-5-7-19(25)13-18;1-5-11-26-19-8-7-17(23)13-18(19)24-21(26)14-25(12-10-15(2)3)22(27)20-9-6-16(4)28-20;1-4-6-7-13-25(22(27)20-11-8-16(3)28-20)15-21-24-18-14-17(23)9-10-19(18)26(21)12-5-2;1-5-10-25-18-8-7-16(22)11-17(18)23-20(25)13-24(12-14(2)3)21(26)19-9-6-15(4)27-19;1-4-6-12-24(21(26)19-10-7-15(3)27-19)14-20-23-17-13-16(22)8-9-18(17)25(20)11-5-2/h5-10,15,17H,4,11-14,16H2,1-3H3;5-9,13,15,17H,4,10-12,14,16H2,1-3H3;6-9,13,15H,5,10-12,14H2,1-4H3;8-11,14H,4-7,12-13,15H2,1-3H3;6-9,11,14H,5,10,12-13H2,1-4H3;7-10,13H,4-6,11-12,14H2,1-3H3
InChIKeyKNKXCBWTPPDCQR-UHFFFAOYSA-N
MW2405.17 g/mol
LogP32.77
Rot. Bonds50

About N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide

N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide (PubChem CID 159185472) has the molecular formula C134H166F8N18O6S4 and a molecular weight of 2405.17 g/mol. Its IUPAC name is N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide
PubChem CID159185472
Molecular FormulaC134H166F8N18O6S4
Molecular Weight2405.17 g/mol
Exact Mass2403.20
IUPAC NameN-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(C)s1.CCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(C)s1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)s2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2ccc(F)cc2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(F)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2cc(F)ccc21
InChIInChI=1S/2C24H29F2N3O.2C22H28FN3OS.2C21H26FN3OS/c1-4-12-29-22-10-9-20(26)15-21(22)27-23(29)16-28(13-11-17(2)3)24(30)14-18-5-7-19(25)8-6-18;1-4-11-29-22-9-8-20(26)15-21(22)27-23(29)16-28(12-10-17(2)3)24(30)14-18-6-5-7-19(25)13-18;1-5-11-26-19-8-7-17(23)13-18(19)24-21(26)14-25(12-10-15(2)3)22(27)20-9-6-16(4)28-20;1-4-6-7-13-25(22(27)20-11-8-16(3)28-20)15-21-24-18-14-17(23)9-10-19(18)26(21)12-5-2;1-5-10-25-18-8-7-16(22)11-17(18)23-20(25)13-24(12-14(2)3)21(26)19-9-6-15(4)27-19;1-4-6-12-24(21(26)19-10-7-15(3)27-19)14-20-23-17-13-16(22)8-9-18(17)25(20)11-5-2/h5-10,15,17H,4,11-14,16H2,1-3H3;5-9,13,15,17H,4,10-12,14,16H2,1-3H3;6-9,13,15H,5,10-12,14H2,1-4H3;8-11,14H,4-7,12-13,15H2,1-3H3;6-9,11,14H,5,10,12-13H2,1-4H3;7-10,13H,4-6,11-12,14H2,1-3H3
InChIKeyKNKXCBWTPPDCQR-UHFFFAOYSA-N
XLogP32.77
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds50
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002405.17
LogP ≤ 532.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-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-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide?
The IUPAC name of N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide (CID 159185472) is N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide is CCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(C)s1.CCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(C)s1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)s2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2ccc(F)cc2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(F)c2)nc2cc(F)ccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2cc(F)ccc21.
What is the InChIKey of N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide?
The InChIKey is KNKXCBWTPPDCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29F2N3O.2C22H28FN3OS.2C21H26FN3OS/c1-4-12-29-22-10-9-20(26)15-21(22)27-23(29)16-28(13-11-17(2)3)24(30)14-18-5-7-19(25)8-6-18;1-4-11-29-22-9-8-20(26)15-21(22)27-23(29)16-28(12-10-17(2)3)24(30)14-18-6-5-7-19(25)13-18;1-5-11-26-19-8-7-17(23)13-18(19)24-21(26)14-25(12-10-15(2)3)22(27)20-9-6-16(4)28-20;1-4-6-7-13-25(22(27)20-11-8-16(3)28-20)15-21-24-18-14-17(23)9-10-19(18)26(21)12-5-2;1-5-10-25-18-8-7-16(22)11-17(18)23-20(25)13-24(12-14(2)3)21(26)19-9-6-15(4)27-19;1-4-6-12-24(21(26)19-10-7-15(3)27-19)14-20-23-17-13-16(22)8-9-18(17)25(20)11-5-2/h5-10,15,17H,4,11-14,16H2,1-3H3;5-9,13,15,17H,4,10-12,14,16H2,1-3H3;6-9,13,15H,5,10-12,14H2,1-4H3;8-11,14H,4-7,12-13,15H2,1-3H3;6-9,11,14H,5,10,12-13H2,1-4H3;7-10,13H,4-6,11-12,14H2,1-3H3.
What are the key properties of N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide?
N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide has a molecular weight of 2405.17 g/mol, XLogP of 32.77, 50 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide;2-(3-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;2-(4-fluorophenyl)-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)acetamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 159185472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).