N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide

C136H123F10N19O12 — CID 167555498

About N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide

N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide (PubChem CID 167555498) has the molecular formula C136H123F10N19O12 and a molecular weight of 2405.58 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
• PubChem CID: 167555498
• Molecular Formula: C136H123F10N19O12
• Molecular Weight: 2405.58 g/mol
• Exact Mass: 2403.94
• IUPAC Name: N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
• SMILES: CCOc1cc(C(=O)N(C)Cc2cccc3[nH]cnc23)ccc1-c1ccn[nH]1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1CC(F)(F)F.CN(Cc1cccc2c1CN=C2)C(=O)c1ccc(-c2cccc(F)c2)c(OC(F)F)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCF)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OCC(F)F)c1.COCc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1
• InChI: InChI=1S/C24H19F3N2O2.C24H21F2N3O2.C24H23N3O2.C23H19F2N3O2.C21H21N5O2.C20H20F3N3O2/c1-29(14-18-6-2-5-17-12-28-13-21(17)18)23(30)16-8-9-20(22(11-16)31-24(26)27)15-4-3-7-19(25)10-15;1-29(14-19-9-5-8-18-13-27-28-23(18)19)24(30)17-10-11-20(16-6-3-2-4-7-16)21(12-17)31-15-22(25)26;1-27(15-20-10-6-9-19-14-25-26-23(19)20)24(28)18-11-12-22(21(13-18)16-29-2)17-7-4-3-5-8-17;1-28(13-18-6-2-5-17-12-26-27-22(17)18)23(29)16-8-9-20(21(11-16)30-14-24)15-4-3-7-19(25)10-15;1-3-28-19-11-14(7-8-16(19)17-9-10-24-25-17)21(27)26(2)12-15-5-4-6-18-20(15)23-13-22-18;1-3-28-17-9-13(7-8-14(17)10-20(21,22)23)19(27)26(2)12-16-6-4-5-15-11-24-25-18(15)16/h2-12,24H,13-14H2,1H3;2-13,22H,14-15H2,1H3,(H,27,28);3-14H,15-16H2,1-2H3,(H,25,26);2-12H,13-14H2,1H3,(H,26,27);4-11,13H,3,12H2,1-2H3,(H,22,23)(H,24,25);4-9,11H,3,10,12H2,1-2H3,(H,24,25)
• InChIKey: CYOPSVXVENEHNH-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 361.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 37
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2405.58
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide?

The IUPAC name of N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide (CID 167555498) is N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide.

What is the SMILES notation for N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide?

The canonical SMILES for N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide is CCOc1cc(C(=O)N(C)Cc2cccc3[nH]cnc23)ccc1-c1ccn[nH]1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1CC(F)(F)F.CN(Cc1cccc2c1CN=C2)C(=O)c1ccc(-c2cccc(F)c2)c(OC(F)F)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCF)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OCC(F)F)c1.COCc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1.

What is the InChIKey of N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide?

The InChIKey is CYOPSVXVENEHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2.C24H21F2N3O2.C24H23N3O2.C23H19F2N3O2.C21H21N5O2.C20H20F3N3O2/c1-29(14-18-6-2-5-17-12-28-13-21(17)18)23(30)16-8-9-20(22(11-16)31-24(26)27)15-4-3-7-19(25)10-15;1-29(14-19-9-5-8-18-13-27-28-23(18)19)24(30)17-10-11-20(16-6-3-2-4-7-16)21(12-17)31-15-22(25)26;1-27(15-20-10-6-9-19-14-25-26-23(19)20)24(28)18-11-12-22(21(13-18)16-29-2)17-7-4-3-5-8-17;1-28(13-18-6-2-5-17-12-26-27-22(17)18)23(29)16-8-9-20(21(11-16)30-14-24)15-4-3-7-19(25)10-15;1-3-28-19-11-14(7-8-16(19)17-9-10-24-25-17)21(27)26(2)12-15-5-4-6-18-20(15)23-13-22-18;1-3-28-17-9-13(7-8-14(17)10-20(21,22)23)19(27)26(2)12-16-6-4-5-15-11-24-25-18(15)16/h2-12,24H,13-14H2,1H3;2-13,22H,14-15H2,1H3,(H,27,28);3-14H,15-16H2,1-2H3,(H,25,26);2-12H,13-14H2,1H3,(H,26,27);4-11,13H,3,12H2,1-2H3,(H,22,23)(H,24,25);4-9,11H,3,10,12H2,1-2H3,(H,24,25).

What are the key properties of N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide?

N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide has a molecular weight of 2405.58 g/mol, XLogP of 28.00, 37 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 167555498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).