N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C153H133Cl4N21O29 — CID 157359665

IUPACN-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4cc(NC(=O)c5cc(OC)c(OC)c(OC)c5)ccc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccnc5)cc4[nH]3)cc2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)nc3c2)cc1
InChIInChI=1S/C33H32N4O8.C31H28N4O6.2C30H24Cl2N4O5.C29H25N5O5/c1-40-25-13-19(14-26(41-2)29(25)44-5)32(38)34-21-9-7-18(8-10-21)31-36-23-12-11-22(17-24(23)37-31)35-33(39)20-15-27(42-3)30(45-6)28(16-20)43-4;1-38-23-12-7-19(8-13-23)30(36)33-22-11-14-24-25(17-22)35-29(34-24)18-5-9-21(10-6-18)32-31(37)20-15-26(39-2)28(41-4)27(16-20)40-3;1-39-25-12-17(13-26(40-2)27(25)41-3)29(37)33-19-7-4-16(5-8-19)28-35-23-11-9-20(15-24(23)36-28)34-30(38)21-10-6-18(31)14-22(21)32;1-39-25-12-18(13-26(40-2)27(25)41-3)30(38)33-21-6-4-16(5-7-21)28-35-23-9-8-22(15-24(23)36-28)34-29(37)17-10-19(31)14-20(32)11-17;1-37-24-13-19(14-25(38-2)26(24)39-3)29(36)31-20-8-6-17(7-9-20)27-33-22-11-10-21(15-23(22)34-27)32-28(35)18-5-4-12-30-16-18/h7-17H,1-6H3,(H,34,38)(H,35,39)(H,36,37);5-17H,1-4H3,(H,32,37)(H,33,36)(H,34,35);4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36);4-15H,1-3H3,(H,33,38)(H,34,37)(H,35,36);4-16H,1-3H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyBIMIYSRIENEJOH-UHFFFAOYSA-N
MW2871.68 g/mol
LogP30.84
Rot. Bonds44

About N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 157359665) has the molecular formula C153H133Cl4N21O29 and a molecular weight of 2871.68 g/mol. Its IUPAC name is N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID157359665
Molecular FormulaC153H133Cl4N21O29
Molecular Weight2871.68 g/mol
Exact Mass2867.83
IUPAC NameN-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4cc(NC(=O)c5cc(OC)c(OC)c(OC)c5)ccc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccnc5)cc4[nH]3)cc2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)nc3c2)cc1
InChIInChI=1S/C33H32N4O8.C31H28N4O6.2C30H24Cl2N4O5.C29H25N5O5/c1-40-25-13-19(14-26(41-2)29(25)44-5)32(38)34-21-9-7-18(8-10-21)31-36-23-12-11-22(17-24(23)37-31)35-33(39)20-15-27(42-3)30(45-6)28(16-20)43-4;1-38-23-12-7-19(8-13-23)30(36)33-22-11-14-24-25(17-22)35-29(34-24)18-5-9-21(10-6-18)32-31(37)20-15-26(39-2)28(41-4)27(16-20)40-3;1-39-25-12-17(13-26(40-2)27(25)41-3)29(37)33-19-7-4-16(5-8-19)28-35-23-11-9-20(15-24(23)36-28)34-30(38)21-10-6-18(31)14-22(21)32;1-39-25-12-18(13-26(40-2)27(25)41-3)30(38)33-21-6-4-16(5-7-21)28-35-23-9-8-22(15-24(23)36-28)34-29(37)17-10-19(31)14-20(32)11-17;1-37-24-13-19(14-25(38-2)26(24)39-3)29(36)31-20-8-6-17(7-9-20)27-33-22-11-10-21(15-23(22)34-27)32-28(35)18-5-4-12-30-16-18/h7-17H,1-6H3,(H,34,38)(H,35,39)(H,36,37);5-17H,1-4H3,(H,32,37)(H,33,36)(H,34,35);4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36);4-15H,1-3H3,(H,33,38)(H,34,37)(H,35,36);4-16H,1-3H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyBIMIYSRIENEJOH-UHFFFAOYSA-N
XLogP30.84
TPSA622.66 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002871.68
LogP ≤ 530.84
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 157359665) is N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is COc1cc(C(=O)Nc2ccc(-c3nc4cc(NC(=O)c5cc(OC)c(OC)c(OC)c5)ccc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccnc5)cc4[nH]3)cc2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)nc3c2)cc1.
What is the InChIKey of N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is BIMIYSRIENEJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O8.C31H28N4O6.2C30H24Cl2N4O5.C29H25N5O5/c1-40-25-13-19(14-26(41-2)29(25)44-5)32(38)34-21-9-7-18(8-10-21)31-36-23-12-11-22(17-24(23)37-31)35-33(39)20-15-27(42-3)30(45-6)28(16-20)43-4;1-38-23-12-7-19(8-13-23)30(36)33-22-11-14-24-25(17-22)35-29(34-24)18-5-9-21(10-6-18)32-31(37)20-15-26(39-2)28(41-4)27(16-20)40-3;1-39-25-12-17(13-26(40-2)27(25)41-3)29(37)33-19-7-4-16(5-8-19)28-35-23-11-9-20(15-24(23)36-28)34-30(38)21-10-6-18(31)14-22(21)32;1-39-25-12-18(13-26(40-2)27(25)41-3)30(38)33-21-6-4-16(5-7-21)28-35-23-9-8-22(15-24(23)36-28)34-29(37)17-10-19(31)14-20(32)11-17;1-37-24-13-19(14-25(38-2)26(24)39-3)29(36)31-20-8-6-17(7-9-20)27-33-22-11-10-21(15-23(22)34-27)32-28(35)18-5-4-12-30-16-18/h7-17H,1-6H3,(H,34,38)(H,35,39)(H,36,37);5-17H,1-4H3,(H,32,37)(H,33,36)(H,34,35);4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36);4-15H,1-3H3,(H,33,38)(H,34,37)(H,35,36);4-16H,1-3H3,(H,31,36)(H,32,35)(H,33,34).
What are the key properties of N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 2871.68 g/mol, XLogP of 30.84, 44 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;3,4,5-trimethoxy-N-[4-[5-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,4,5-trimethoxy-N-[4-[5-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 157359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).