N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C144H136Cl6N20O14 — CID 157406959

IUPACN-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CC6CCC5C6)cc4)[nH]c3c2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CC6CCC5C6)cc4)[nH]c3c2)cc1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)c1cc(Cl)cc(Cl)c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1)c1c(Cl)cccc1Cl.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C31H32N4O5.C29H28N4O3.C28H24Cl2N4O2.2C28H26Cl2N4O2/c1-38-26-14-20(15-27(39-2)28(26)40-3)30(36)33-22-10-11-24-25(16-22)35-29(34-24)18-6-8-21(9-7-18)32-31(37)23-13-17-4-5-19(23)12-17;1-36-23-11-6-19(7-12-23)28(34)31-22-10-13-25-26(16-22)33-27(32-25)18-4-8-21(9-5-18)30-29(35)24-15-17-2-3-20(24)14-17;29-19-11-18(12-20(30)13-19)27(35)32-22-7-8-24-25(14-22)34-26(33-24)16-3-5-21(6-4-16)31-28(36)23-10-15-1-2-17(23)9-15;29-21-8-5-9-22(30)25(21)28(36)32-20-14-15-23-24(16-20)34-26(33-23)17-10-12-19(13-11-17)31-27(35)18-6-3-1-2-4-7-18;29-19-9-13-22(23(30)15-19)28(36)32-21-12-14-24-25(16-21)34-26(33-24)17-7-10-20(11-8-17)31-27(35)18-5-3-1-2-4-6-18/h6-11,14-17,19,23H,4-5,12-13H2,1-3H3,(H,32,37)(H,33,36)(H,34,35);4-13,16-17,20,24H,2-3,14-15H2,1H3,(H,30,35)(H,31,34)(H,32,33);3-8,11-15,17,23H,1-2,9-10H2,(H,31,36)(H,32,35)(H,33,34);5,8-16,18H,1-4,6-7H2,(H,31,35)(H,32,36)(H,33,34);7-16,18H,1-6H2,(H,31,35)(H,32,36)(H,33,34)
InChIKeyBNVFDUVZURMQAQ-UHFFFAOYSA-N
MW2583.52 g/mol
LogP34.31
Rot. Bonds29

About N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 157406959) has the molecular formula C144H136Cl6N20O14 and a molecular weight of 2583.52 g/mol. Its IUPAC name is N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID157406959
Molecular FormulaC144H136Cl6N20O14
Molecular Weight2583.52 g/mol
Exact Mass2578.87
IUPAC NameN-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CC6CCC5C6)cc4)[nH]c3c2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CC6CCC5C6)cc4)[nH]c3c2)cc1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)c1cc(Cl)cc(Cl)c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1)c1c(Cl)cccc1Cl.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C31H32N4O5.C29H28N4O3.C28H24Cl2N4O2.2C28H26Cl2N4O2/c1-38-26-14-20(15-27(39-2)28(26)40-3)30(36)33-22-10-11-24-25(16-22)35-29(34-24)18-6-8-21(9-7-18)32-31(37)23-13-17-4-5-19(23)12-17;1-36-23-11-6-19(7-12-23)28(34)31-22-10-13-25-26(16-22)33-27(32-25)18-4-8-21(9-5-18)30-29(35)24-15-17-2-3-20(24)14-17;29-19-11-18(12-20(30)13-19)27(35)32-22-7-8-24-25(14-22)34-26(33-24)16-3-5-21(6-4-16)31-28(36)23-10-15-1-2-17(23)9-15;29-21-8-5-9-22(30)25(21)28(36)32-20-14-15-23-24(16-20)34-26(33-23)17-10-12-19(13-11-17)31-27(35)18-6-3-1-2-4-7-18;29-19-9-13-22(23(30)15-19)28(36)32-21-12-14-24-25(16-21)34-26(33-24)17-7-10-20(11-8-17)31-27(35)18-5-3-1-2-4-6-18/h6-11,14-17,19,23H,4-5,12-13H2,1-3H3,(H,32,37)(H,33,36)(H,34,35);4-13,16-17,20,24H,2-3,14-15H2,1H3,(H,30,35)(H,31,34)(H,32,33);3-8,11-15,17,23H,1-2,9-10H2,(H,31,36)(H,32,35)(H,33,34);5,8-16,18H,1-4,6-7H2,(H,31,35)(H,32,36)(H,33,34);7-16,18H,1-6H2,(H,31,35)(H,32,36)(H,33,34)
InChIKeyBNVFDUVZURMQAQ-UHFFFAOYSA-N
XLogP34.31
TPSA471.32 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002583.52
LogP ≤ 534.31
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Analyze N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 157406959) is N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is COc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CC6CCC5C6)cc4)[nH]c3c2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CC6CCC5C6)cc4)[nH]c3c2)cc1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1)c1cc(Cl)cc(Cl)c1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1)c1c(Cl)cccc1Cl.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BNVFDUVZURMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O5.C29H28N4O3.C28H24Cl2N4O2.2C28H26Cl2N4O2/c1-38-26-14-20(15-27(39-2)28(26)40-3)30(36)33-22-10-11-24-25(16-22)35-29(34-24)18-6-8-21(9-7-18)32-31(37)23-13-17-4-5-19(23)12-17;1-36-23-11-6-19(7-12-23)28(34)31-22-10-13-25-26(16-22)33-27(32-25)18-4-8-21(9-5-18)30-29(35)24-15-17-2-3-20(24)14-17;29-19-11-18(12-20(30)13-19)27(35)32-22-7-8-24-25(14-22)34-26(33-24)16-3-5-21(6-4-16)31-28(36)23-10-15-1-2-17(23)9-15;29-21-8-5-9-22(30)25(21)28(36)32-20-14-15-23-24(16-20)34-26(33-23)17-10-12-19(13-11-17)31-27(35)18-6-3-1-2-4-7-18;29-19-9-13-22(23(30)15-19)28(36)32-21-12-14-24-25(16-21)34-26(33-24)17-7-10-20(11-8-17)31-27(35)18-5-3-1-2-4-6-18/h6-11,14-17,19,23H,4-5,12-13H2,1-3H3,(H,32,37)(H,33,36)(H,34,35);4-13,16-17,20,24H,2-3,14-15H2,1H3,(H,30,35)(H,31,34)(H,32,33);3-8,11-15,17,23H,1-2,9-10H2,(H,31,36)(H,32,35)(H,33,34);5,8-16,18H,1-4,6-7H2,(H,31,35)(H,32,36)(H,33,34);7-16,18H,1-6H2,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 2583.52 g/mol, XLogP of 34.31, 29 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]cycloheptanecarboxamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[4-[6-[(3,4,5-trimethoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 157406959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).