1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide

C142H118Cl2F14N18O12 — CID 160749186

IUPAC1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1)c1ccccc1.CCC(NC(=O)c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1)c1ccccc1.COc1ccc(CNC(=O)c2ccc3c(c2)ncn3Cc2ccc(F)cc2F)c(OC)c1.COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4F)c3c2)c(OC)c1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)ncn2Cc1ccc(F)cc1F.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2ncn(Cc3ccc(F)cc3F)c2c1
InChIInChI=1S/2C24H22ClN3O.2C24H21F2N3O3.2C23H16F5N3O2/c1-2-21(18-6-4-3-5-7-18)27-24(29)19-10-13-23-22(14-19)26-16-28(23)15-17-8-11-20(25)12-9-17;1-2-21(18-6-4-3-5-7-18)27-24(29)19-10-13-22-23(14-19)28(16-26-22)15-17-8-11-20(25)12-9-17;1-31-19-7-4-16(23(11-19)32-2)12-27-24(30)15-5-8-22-21(9-15)28-14-29(22)13-17-3-6-18(25)10-20(17)26;1-31-19-7-4-16(23(11-19)32-2)12-27-24(30)15-5-8-21-22(9-15)29(14-28-21)13-17-3-6-18(25)10-20(17)26;24-17-6-4-16(19(25)10-17)12-31-13-30-20-9-15(5-7-21(20)31)22(32)29-11-14-2-1-3-18(8-14)33-23(26,27)28;24-17-6-4-16(19(25)10-17)12-31-13-30-20-7-5-15(9-21(20)31)22(32)29-11-14-2-1-3-18(8-14)33-23(26,27)28/h2*3-14,16,21H,2,15H2,1H3,(H,27,29);2*3-11,14H,12-13H2,1-2H3,(H,27,30);2*1-10,13H,11-12H2,(H,29,32)
InChIKeyRWOYCKJXABAFLU-UHFFFAOYSA-N
MW2605.50 g/mol
LogP30.24
Rot. Bonds38

About 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 160749186) has the molecular formula C142H118Cl2F14N18O12 and a molecular weight of 2605.50 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID160749186
Molecular FormulaC142H118Cl2F14N18O12
Molecular Weight2605.50 g/mol
Exact Mass2602.83
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1)c1ccccc1.CCC(NC(=O)c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1)c1ccccc1.COc1ccc(CNC(=O)c2ccc3c(c2)ncn3Cc2ccc(F)cc2F)c(OC)c1.COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4F)c3c2)c(OC)c1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)ncn2Cc1ccc(F)cc1F.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2ncn(Cc3ccc(F)cc3F)c2c1
InChIInChI=1S/2C24H22ClN3O.2C24H21F2N3O3.2C23H16F5N3O2/c1-2-21(18-6-4-3-5-7-18)27-24(29)19-10-13-23-22(14-19)26-16-28(23)15-17-8-11-20(25)12-9-17;1-2-21(18-6-4-3-5-7-18)27-24(29)19-10-13-22-23(14-19)28(16-26-22)15-17-8-11-20(25)12-9-17;1-31-19-7-4-16(23(11-19)32-2)12-27-24(30)15-5-8-22-21(9-15)28-14-29(22)13-17-3-6-18(25)10-20(17)26;1-31-19-7-4-16(23(11-19)32-2)12-27-24(30)15-5-8-21-22(9-15)29(14-28-21)13-17-3-6-18(25)10-20(17)26;24-17-6-4-16(19(25)10-17)12-31-13-30-20-9-15(5-7-21(20)31)22(32)29-11-14-2-1-3-18(8-14)33-23(26,27)28;24-17-6-4-16(19(25)10-17)12-31-13-30-20-7-5-15(9-21(20)31)22(32)29-11-14-2-1-3-18(8-14)33-23(26,27)28/h2*3-14,16,21H,2,15H2,1H3,(H,27,29);2*3-11,14H,12-13H2,1-2H3,(H,27,30);2*1-10,13H,11-12H2,(H,29,32)
InChIKeyRWOYCKJXABAFLU-UHFFFAOYSA-N
XLogP30.24
TPSA336.90 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002605.50
LogP ≤ 530.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide (CID 160749186) is 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1)c1ccccc1.CCC(NC(=O)c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1)c1ccccc1.COc1ccc(CNC(=O)c2ccc3c(c2)ncn3Cc2ccc(F)cc2F)c(OC)c1.COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4F)c3c2)c(OC)c1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)ncn2Cc1ccc(F)cc1F.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2ncn(Cc3ccc(F)cc3F)c2c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is RWOYCKJXABAFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22ClN3O.2C24H21F2N3O3.2C23H16F5N3O2/c1-2-21(18-6-4-3-5-7-18)27-24(29)19-10-13-23-22(14-19)26-16-28(23)15-17-8-11-20(25)12-9-17;1-2-21(18-6-4-3-5-7-18)27-24(29)19-10-13-22-23(14-19)28(16-26-22)15-17-8-11-20(25)12-9-17;1-31-19-7-4-16(23(11-19)32-2)12-27-24(30)15-5-8-22-21(9-15)28-14-29(22)13-17-3-6-18(25)10-20(17)26;1-31-19-7-4-16(23(11-19)32-2)12-27-24(30)15-5-8-21-22(9-15)29(14-28-21)13-17-3-6-18(25)10-20(17)26;24-17-6-4-16(19(25)10-17)12-31-13-30-20-9-15(5-7-21(20)31)22(32)29-11-14-2-1-3-18(8-14)33-23(26,27)28;24-17-6-4-16(19(25)10-17)12-31-13-30-20-7-5-15(9-21(20)31)22(32)29-11-14-2-1-3-18(8-14)33-23(26,27)28/h2*3-14,16,21H,2,15H2,1H3,(H,27,29);2*3-11,14H,12-13H2,1-2H3,(H,27,30);2*1-10,13H,11-12H2,(H,29,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 2605.50 g/mol, XLogP of 30.24, 38 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(4-chlorophenyl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide;3-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 160749186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).