N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C117H94ClF8N13O7 — CID 160834082

IUPACN-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)[nH]c2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc([C@@H](C)N)c1
InChIInChI=1S/C25H20N2O2.C24H18F2N2O2.C23H18ClN3O.C23H21F3N2O.C22H17F3N4O/c1-16-2-6-22(27-25(28)20-5-7-24-19(13-20)9-11-29-24)14-23(16)18-4-3-17-8-10-26-15-21(17)12-18;1-15-2-7-20(28-23(29)17-5-8-21(9-6-17)30-24(25)26)13-22(15)18-4-3-16-10-11-27-14-19(16)12-18;1-15-5-8-21(27-23(28)26-20-4-2-3-19(24)12-20)13-22(15)17-7-6-16-9-10-25-14-18(16)11-17;1-14-9-10-20(13-21(14)17-6-3-5-16(11-17)15(2)27)28-22(29)18-7-4-8-19(12-18)23(24,25)26;1-12-5-7-16(27-20(30)14-3-2-4-15(9-14)22(23,24)25)11-17(12)13-6-8-18-19(10-13)29-21(26)28-18/h2-8,10,12-15H,9,11H2,1H3,(H,27,28);2-14,24H,1H3,(H,28,29);2-14H,1H3,(H2,26,27,28);3-13,15H,27H2,1-2H3,(H,28,29);2-11H,1H3,(H,27,30)(H3,26,28,29)/t;;;15-;/m...1./s1
InChIKeySHEIUAUEZGXOQQ-IJPZNPOWSA-N
MW1981.56 g/mol
LogP29.31
Rot. Bonds18

About N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 160834082) has the molecular formula C117H94ClF8N13O7 and a molecular weight of 1981.56 g/mol. Its IUPAC name is N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID160834082
Molecular FormulaC117H94ClF8N13O7
Molecular Weight1981.56 g/mol
Exact Mass1979.70
IUPAC NameN-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)[nH]c2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc([C@@H](C)N)c1
InChIInChI=1S/C25H20N2O2.C24H18F2N2O2.C23H18ClN3O.C23H21F3N2O.C22H17F3N4O/c1-16-2-6-22(27-25(28)20-5-7-24-19(13-20)9-11-29-24)14-23(16)18-4-3-17-8-10-26-15-21(17)12-18;1-15-2-7-20(28-23(29)17-5-8-21(9-6-17)30-24(25)26)13-22(15)18-4-3-16-10-11-27-14-19(16)12-18;1-15-5-8-21(27-23(28)26-20-4-2-3-19(24)12-20)13-22(15)17-7-6-16-9-10-25-14-18(16)11-17;1-14-9-10-20(13-21(14)17-6-3-5-16(11-17)15(2)27)28-22(29)18-7-4-8-19(12-18)23(24,25)26;1-12-5-7-16(27-20(30)14-3-2-4-15(9-14)22(23,24)25)11-17(12)13-6-8-18-19(10-13)29-21(26)28-18/h2-8,10,12-15H,9,11H2,1H3,(H,27,28);2-14,24H,1H3,(H,28,29);2-14H,1H3,(H2,26,27,28);3-13,15H,27H2,1-2H3,(H,28,29);2-11H,1H3,(H,27,30)(H3,26,28,29)/t;;;15-;/m...1./s1
InChIKeySHEIUAUEZGXOQQ-IJPZNPOWSA-N
XLogP29.31
TPSA295.38 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.56
LogP ≤ 529.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Analyze N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-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-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 160834082) is N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)[nH]c2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc([C@@H](C)N)c1.
What is the InChIKey of N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SHEIUAUEZGXOQQ-IJPZNPOWSA-N. The full InChI is InChI=1S/C25H20N2O2.C24H18F2N2O2.C23H18ClN3O.C23H21F3N2O.C22H17F3N4O/c1-16-2-6-22(27-25(28)20-5-7-24-19(13-20)9-11-29-24)14-23(16)18-4-3-17-8-10-26-15-21(17)12-18;1-15-2-7-20(28-23(29)17-5-8-21(9-6-17)30-24(25)26)13-22(15)18-4-3-16-10-11-27-14-19(16)12-18;1-15-5-8-21(27-23(28)26-20-4-2-3-19(24)12-20)13-22(15)17-7-6-16-9-10-25-14-18(16)11-17;1-14-9-10-20(13-21(14)17-6-3-5-16(11-17)15(2)27)28-22(29)18-7-4-8-19(12-18)23(24,25)26;1-12-5-7-16(27-20(30)14-3-2-4-15(9-14)22(23,24)25)11-17(12)13-6-8-18-19(10-13)29-21(26)28-18/h2-8,10,12-15H,9,11H2,1H3,(H,27,28);2-14,24H,1H3,(H,28,29);2-14H,1H3,(H2,26,27,28);3-13,15H,27H2,1-2H3,(H,28,29);2-11H,1H3,(H,27,30)(H3,26,28,29)/t;;;15-;/m...1./s1.
What are the key properties of N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 1981.56 g/mol, XLogP of 29.31, 18 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 160834082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).