N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C88H67ClF6N12O13S2 — CID 158686982

IUPACN-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)[nH]c3c2)cc(OC)c1OC.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(S(C)(=O)=O)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3[nH]2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H25ClN4O5.C29H18F6N4O2.C29H24N4O6S2/c1-38-25-14-19(15-26(39-2)27(25)40-3)30(37)33-22-12-13-23-24(16-22)35-28(34-23)17-6-10-21(11-7-17)32-29(36)18-4-8-20(31)9-5-18;30-28(31,32)19-5-1-3-17(13-19)26(40)36-21-9-7-16(8-10-21)25-38-23-12-11-22(15-24(23)39-25)37-27(41)18-4-2-6-20(14-18)29(33,34)35;1-40(36,37)23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(15-8-20)41(2,38)39/h4-16H,1-3H3,(H,32,36)(H,33,37)(H,34,35);1-15H,(H,36,40)(H,37,41)(H,38,39);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyIFWDPCYMCRMWSF-UHFFFAOYSA-N
MW1714.15 g/mol
LogP18.73
Rot. Bonds20

About N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide

N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 158686982) has the molecular formula C88H67ClF6N12O13S2 and a molecular weight of 1714.15 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID158686982
Molecular FormulaC88H67ClF6N12O13S2
Molecular Weight1714.15 g/mol
Exact Mass1712.40
IUPAC NameN-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)[nH]c3c2)cc(OC)c1OC.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(S(C)(=O)=O)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3[nH]2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H25ClN4O5.C29H18F6N4O2.C29H24N4O6S2/c1-38-25-14-19(15-26(39-2)27(25)40-3)30(37)33-22-12-13-23-24(16-22)35-28(34-23)17-6-10-21(11-7-17)32-29(36)18-4-8-20(31)9-5-18;30-28(31,32)19-5-1-3-17(13-19)26(40)36-21-9-7-16(8-10-21)25-38-23-12-11-22(15-24(23)39-25)37-27(41)18-4-2-6-20(14-18)29(33,34)35;1-40(36,37)23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(15-8-20)41(2,38)39/h4-16H,1-3H3,(H,32,36)(H,33,37)(H,34,35);1-15H,(H,36,40)(H,37,41)(H,38,39);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyIFWDPCYMCRMWSF-UHFFFAOYSA-N
XLogP18.73
TPSA356.61 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001714.15
LogP ≤ 518.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 158686982) is N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is COc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)[nH]c3c2)cc(OC)c1OC.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(S(C)(=O)=O)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3[nH]2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is IFWDPCYMCRMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN4O5.C29H18F6N4O2.C29H24N4O6S2/c1-38-25-14-19(15-26(39-2)27(25)40-3)30(37)33-22-12-13-23-24(16-22)35-28(34-23)17-6-10-21(11-7-17)32-29(36)18-4-8-20(31)9-5-18;30-28(31,32)19-5-1-3-17(13-19)26(40)36-21-9-7-16(8-10-21)25-38-23-12-11-22(15-24(23)39-25)37-27(41)18-4-2-6-20(14-18)29(33,34)35;1-40(36,37)23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(15-8-20)41(2,38)39/h4-16H,1-3H3,(H,32,36)(H,33,37)(H,34,35);1-15H,(H,36,40)(H,37,41)(H,38,39);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 1714.15 g/mol, XLogP of 18.73, 20 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;4-methylsulfonyl-N-[4-[6-[(4-methylsulfonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3-(trifluoromethyl)-N-[4-[6-[[3-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 158686982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).