N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)

C130H136Cl5F4N21O7S6 — CID 157124319

IUPACN-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)
SMILESCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCn1c(CN(C)C(=O)c2ccc(C)s2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2cccs2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2ccsc2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2sccc2C)nc2cccc(Cl)c21.CN(Cc1nc2ccc(Cl)cc2n1-c1ccccc1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C22H16ClF2N3O.2C19H22FN3OS.2C18H20ClN3OS.2C17H18ClN3OS/c1-27(22(29)16-8-5-9-17(24)21(16)25)13-20-26-18-11-10-14(23)12-19(18)28(20)15-6-3-2-4-7-15;2*1-3-9-22(19(24)17-6-5-11-25-17)13-18-21-15-8-7-14(20)12-16(15)23(18)10-4-2;1-4-10-22-16(20-14-7-5-6-13(19)17(14)22)11-21(3)18(23)15-9-8-12(2)24-15;1-4-9-22-15(20-14-7-5-6-13(19)16(14)22)11-21(3)18(23)17-12(2)8-10-24-17;1-3-9-21-15(19-13-7-4-6-12(18)16(13)21)11-20(2)17(22)14-8-5-10-23-14;1-3-8-21-15(19-14-6-4-5-13(18)16(14)21)10-20(2)17(22)12-7-9-23-11-12/h2-12H,13H2,1H3;2*5-8,11-12H,3-4,9-10,13H2,1-2H3;5-9H,4,10-11H2,1-3H3;5-8,10H,4,9,11H2,1-3H3;4-8,10H,3,9,11H2,1-2H3;4-7,9,11H,3,8,10H2,1-2H3
InChIKeyAIIKGWUFHZODAD-UHFFFAOYSA-N
MW2550.32 g/mol
LogP32.98
Rot. Bonds38

About N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)

N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide) (PubChem CID 157124319) has the molecular formula C130H136Cl5F4N21O7S6 and a molecular weight of 2550.32 g/mol. Its IUPAC name is N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide).

Molecular Properties

Compound NameN-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)
PubChem CID157124319
Molecular FormulaC130H136Cl5F4N21O7S6
Molecular Weight2550.32 g/mol
Exact Mass2545.76
IUPAC NameN-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)
SMILESCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCn1c(CN(C)C(=O)c2ccc(C)s2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2cccs2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2ccsc2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2sccc2C)nc2cccc(Cl)c21.CN(Cc1nc2ccc(Cl)cc2n1-c1ccccc1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C22H16ClF2N3O.2C19H22FN3OS.2C18H20ClN3OS.2C17H18ClN3OS/c1-27(22(29)16-8-5-9-17(24)21(16)25)13-20-26-18-11-10-14(23)12-19(18)28(20)15-6-3-2-4-7-15;2*1-3-9-22(19(24)17-6-5-11-25-17)13-18-21-15-8-7-14(20)12-16(15)23(18)10-4-2;1-4-10-22-16(20-14-7-5-6-13(19)17(14)22)11-21(3)18(23)15-9-8-12(2)24-15;1-4-9-22-15(20-14-7-5-6-13(19)16(14)22)11-21(3)18(23)17-12(2)8-10-24-17;1-3-9-21-15(19-13-7-4-6-12(18)16(13)21)11-20(2)17(22)14-8-5-10-23-14;1-3-8-21-15(19-14-6-4-5-13(18)16(14)21)10-20(2)17(22)12-7-9-23-11-12/h2-12H,13H2,1H3;2*5-8,11-12H,3-4,9-10,13H2,1-2H3;5-9H,4,10-11H2,1-3H3;5-8,10H,4,9,11H2,1-3H3;4-8,10H,3,9,11H2,1-2H3;4-7,9,11H,3,8,10H2,1-2H3
InChIKeyAIIKGWUFHZODAD-UHFFFAOYSA-N
XLogP32.98
TPSA266.91 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002550.32
LogP ≤ 532.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)?
The IUPAC name of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide) (CID 157124319) is N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide).
What is the SMILES notation for N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)?
The canonical SMILES for N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide) is CCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccs1.CCCn1c(CN(C)C(=O)c2ccc(C)s2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2cccs2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2ccsc2)nc2cccc(Cl)c21.CCCn1c(CN(C)C(=O)c2sccc2C)nc2cccc(Cl)c21.CN(Cc1nc2ccc(Cl)cc2n1-c1ccccc1)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)?
The InChIKey is AIIKGWUFHZODAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N3O.2C19H22FN3OS.2C18H20ClN3OS.2C17H18ClN3OS/c1-27(22(29)16-8-5-9-17(24)21(16)25)13-20-26-18-11-10-14(23)12-19(18)28(20)15-6-3-2-4-7-15;2*1-3-9-22(19(24)17-6-5-11-25-17)13-18-21-15-8-7-14(20)12-16(15)23(18)10-4-2;1-4-10-22-16(20-14-7-5-6-13(19)17(14)22)11-21(3)18(23)15-9-8-12(2)24-15;1-4-9-22-15(20-14-7-5-6-13(19)16(14)22)11-21(3)18(23)17-12(2)8-10-24-17;1-3-9-21-15(19-13-7-4-6-12(18)16(13)21)11-20(2)17(22)14-8-5-10-23-14;1-3-8-21-15(19-14-6-4-5-13(18)16(14)21)10-20(2)17(22)12-7-9-23-11-12/h2-12H,13H2,1H3;2*5-8,11-12H,3-4,9-10,13H2,1-2H3;5-9H,4,10-11H2,1-3H3;5-8,10H,4,9,11H2,1-3H3;4-8,10H,3,9,11H2,1-2H3;4-7,9,11H,3,8,10H2,1-2H3.
What are the key properties of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide)?
N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide) has a molecular weight of 2550.32 g/mol, XLogP of 32.98, 38 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;bis(N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylthiophene-2-carboxamide) is sourced from PubChem (CID 157124319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).