N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide

C145H134Cl2N20O25S2 — CID 157237920

IUPACN-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCCC5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCCCC5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccsc5)cc4[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C30H24Cl2N4O5.C30H32N4O5.C29H30N4O5.2C28H24N4O5S/c1-39-24-13-17(14-25(40-2)27(24)41-3)29(37)33-18-9-7-16(8-10-18)28-35-22-12-11-19(15-23(22)36-28)34-30(38)26-20(31)5-4-6-21(26)32;1-37-25-15-20(16-26(38-2)27(25)39-3)30(36)31-21-11-9-18(10-12-21)28-33-23-14-13-22(17-24(23)34-28)32-29(35)19-7-5-4-6-8-19;1-36-24-14-19(15-25(37-2)26(24)38-3)29(35)30-20-10-8-17(9-11-20)27-32-22-13-12-21(16-23(22)33-27)31-28(34)18-6-4-5-7-18;1-35-23-12-18(13-24(36-2)25(23)37-3)28(34)29-19-6-4-16(5-7-19)26-31-21-9-8-20(14-22(21)32-26)30-27(33)17-10-11-38-15-17;1-35-22-13-17(14-23(36-2)25(22)37-3)27(33)29-18-8-6-16(7-9-18)26-31-20-11-10-19(15-21(20)32-26)30-28(34)24-5-4-12-38-24/h4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36);9-17,19H,4-8H2,1-3H3,(H,31,36)(H,32,35)(H,33,34);8-16,18H,4-7H2,1-3H3,(H,30,35)(H,31,34)(H,32,33);4-15H,1-3H3,(H,29,34)(H,30,33)(H,31,32);4-15H,1-3H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyAUVYZDFZHQRLNI-UHFFFAOYSA-N
MW2691.82 g/mol
LogP30.37
Rot. Bonds40

About N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide

N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide (PubChem CID 157237920) has the molecular formula C145H134Cl2N20O25S2 and a molecular weight of 2691.82 g/mol. Its IUPAC name is N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide
PubChem CID157237920
Molecular FormulaC145H134Cl2N20O25S2
Molecular Weight2691.82 g/mol
Exact Mass2688.86
IUPAC NameN-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCCC5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCCCC5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccsc5)cc4[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C30H24Cl2N4O5.C30H32N4O5.C29H30N4O5.2C28H24N4O5S/c1-39-24-13-17(14-25(40-2)27(24)41-3)29(37)33-18-9-7-16(8-10-18)28-35-22-12-11-19(15-23(22)36-28)34-30(38)26-20(31)5-4-6-21(26)32;1-37-25-15-20(16-26(38-2)27(25)39-3)30(36)31-21-11-9-18(10-12-21)28-33-23-14-13-22(17-24(23)34-28)32-29(35)19-7-5-4-6-8-19;1-36-24-14-19(15-25(37-2)26(24)38-3)29(35)30-20-10-8-17(9-11-20)27-32-22-13-12-21(16-23(22)33-27)31-28(34)18-6-4-5-7-18;1-35-23-12-18(13-24(36-2)25(23)37-3)28(34)29-19-6-4-16(5-7-19)26-31-21-9-8-20(14-22(21)32-26)30-27(33)17-10-11-38-15-17;1-35-22-13-17(14-23(36-2)25(22)37-3)27(33)29-18-8-6-16(7-9-18)26-31-20-11-10-19(15-21(20)32-26)30-28(34)24-5-4-12-38-24/h4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36);9-17,19H,4-8H2,1-3H3,(H,31,36)(H,32,35)(H,33,34);8-16,18H,4-7H2,1-3H3,(H,30,35)(H,31,34)(H,32,33);4-15H,1-3H3,(H,29,34)(H,30,33)(H,31,32);4-15H,1-3H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyAUVYZDFZHQRLNI-UHFFFAOYSA-N
XLogP30.37
TPSA572.85 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002691.82
LogP ≤ 530.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Analyze N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide (CID 157237920) is N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide is COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCCC5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCCCC5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)cc2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccsc5)cc4[nH]3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide?
The InChIKey is AUVYZDFZHQRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N4O5.C30H32N4O5.C29H30N4O5.2C28H24N4O5S/c1-39-24-13-17(14-25(40-2)27(24)41-3)29(37)33-18-9-7-16(8-10-18)28-35-22-12-11-19(15-23(22)36-28)34-30(38)26-20(31)5-4-6-21(26)32;1-37-25-15-20(16-26(38-2)27(25)39-3)30(36)31-21-11-9-18(10-12-21)28-33-23-14-13-22(17-24(23)34-28)32-29(35)19-7-5-4-6-8-19;1-36-24-14-19(15-25(37-2)26(24)38-3)29(35)30-20-10-8-17(9-11-20)27-32-22-13-12-21(16-23(22)33-27)31-28(34)18-6-4-5-7-18;1-35-23-12-18(13-24(36-2)25(23)37-3)28(34)29-19-6-4-16(5-7-19)26-31-21-9-8-20(14-22(21)32-26)30-27(33)17-10-11-38-15-17;1-35-22-13-17(14-23(36-2)25(22)37-3)27(33)29-18-8-6-16(7-9-18)26-31-20-11-10-19(15-21(20)32-26)30-28(34)24-5-4-12-38-24/h4-15H,1-3H3,(H,33,37)(H,34,38)(H,35,36);9-17,19H,4-8H2,1-3H3,(H,31,36)(H,32,35)(H,33,34);8-16,18H,4-7H2,1-3H3,(H,30,35)(H,31,34)(H,32,33);4-15H,1-3H3,(H,29,34)(H,30,33)(H,31,32);4-15H,1-3H3,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide?
N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide has a molecular weight of 2691.82 g/mol, XLogP of 30.37, 40 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide is sourced from PubChem (CID 157237920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).