2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid

C33H24Cl4N6O6 — CID 167377546

IUPAC2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid
SMILESCOc1c(C(N)=O)ccc2c1nc(-c1ccc(Cl)c(Cl)c1)n2CCn1c(-c2cc(Cl)c(Cl)cc2C(=O)O)nc2c(OC)c(C(N)=O)ccc21
InChIInChI=1S/C33H24Cl4N6O6/c1-48-27-15(29(38)44)4-7-23-25(27)40-31(14-3-6-19(34)20(35)11-14)42(23)9-10-43-24-8-5-16(30(39)45)28(49-2)26(24)41-32(43)17-12-21(36)22(37)13-18(17)33(46)47/h3-8,11-13H,9-10H2,1-2H3,(H2,38,44)(H2,39,45)(H,46,47)
InChIKeyZIDFTXJGYCMWBH-UHFFFAOYSA-N
MW742.40 g/mol
LogP6.95
Rot. Bonds10

About 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid

2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid (PubChem CID 167377546) has the molecular formula C33H24Cl4N6O6 and a molecular weight of 742.40 g/mol. Its IUPAC name is 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid
PubChem CID167377546
Molecular FormulaC33H24Cl4N6O6
Molecular Weight742.40 g/mol
Exact Mass740.05
IUPAC Name2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid
SMILESCOc1c(C(N)=O)ccc2c1nc(-c1ccc(Cl)c(Cl)c1)n2CCn1c(-c2cc(Cl)c(Cl)cc2C(=O)O)nc2c(OC)c(C(N)=O)ccc21
InChIInChI=1S/C33H24Cl4N6O6/c1-48-27-15(29(38)44)4-7-23-25(27)40-31(14-3-6-19(34)20(35)11-14)42(23)9-10-43-24-8-5-16(30(39)45)28(49-2)26(24)41-32(43)17-12-21(36)22(37)13-18(17)33(46)47/h3-8,11-13H,9-10H2,1-2H3,(H2,38,44)(H2,39,45)(H,46,47)
InChIKeyZIDFTXJGYCMWBH-UHFFFAOYSA-N
XLogP6.95
TPSA177.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.40
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid with MolForge

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Related Compounds

5-bromo-2-[1-[2-[2-(4-bromo-2-carboxyphenyl)-5-carbamoyl-4-methoxybenzimidazol-1-yl]ethyl]-5-carbamoyl-4-methoxybenzimidazol-2-yl]benzoic acid
CID 156516738
methyl 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(5-chloro-2-methoxycarbonylphenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4-chlorobenzoate
CID 156790452
2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(2-carboxy-6-fluorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-3-fluorobenzoic acid
CID 156790464
2-[1-[2-[2-[2-[(Z)-C-aminocarbonohydrazonoyl]-4-chlorophenyl]-5-carbamoyl-4-methoxybenzimidazol-1-yl]ethyl]-5-carbamoyl-4-methoxybenzimidazol-2-yl]-5-chloro-3-fluorobenzoic acid
CID 176689303
1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide
CID 156790450
2-[2-[(Z)-C-aminocarbonohydrazonoyl]-6-chlorophenyl]-1-[2-[2-[2-[(Z)-C-aminocarbonohydrazonoyl]-6-chlorophenyl]-5-carbamoyl-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazole-5-carboxamide
CID 166540614
6,17-dicarbamoyl-5,18-dimethoxy-27,30-dioxa-3,10,13,20-tetrazaheptacyclo[29.2.2.122,26.02,10.04,9.013,21.014,19]hexatriaconta-1(33),2,4(9),5,7,14(19),15,17,20,22,24,26(36),31,34-tetradecaene-23,33-dicarboxylic acid
CID 171810860
6,17-dicarbamoyl-5,18-dimethoxy-27,32-dioxa-3,10,13,20-tetrazaheptacyclo[31.2.2.122,26.02,10.04,9.013,21.014,19]octatriaconta-1(35),2,4(9),5,7,14(19),15,17,20,22,24,26(38),33,36-tetradecaene-23,35-dicarboxylic acid
CID 171810765
[1-[2-[2-(3-bromo-2-methylbenzoyl)oxy-5-carbamoyl-4-methoxybenzimidazol-1-yl]ethyl]-5-carbamoyl-4-methoxybenzimidazol-2-yl] 3-bromo-2-methylbenzoate
CID 175814708
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid?
The IUPAC name of 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid (CID 167377546) is 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid.
What is the SMILES notation for 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid?
The canonical SMILES for 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid is COc1c(C(N)=O)ccc2c1nc(-c1ccc(Cl)c(Cl)c1)n2CCn1c(-c2cc(Cl)c(Cl)cc2C(=O)O)nc2c(OC)c(C(N)=O)ccc21.
What is the InChIKey of 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid?
The InChIKey is ZIDFTXJGYCMWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Cl4N6O6/c1-48-27-15(29(38)44)4-7-23-25(27)40-31(14-3-6-19(34)20(35)11-14)42(23)9-10-43-24-8-5-16(30(39)45)28(49-2)26(24)41-32(43)17-12-21(36)22(37)13-18(17)33(46)47/h3-8,11-13H,9-10H2,1-2H3,(H2,38,44)(H2,39,45)(H,46,47).
What are the key properties of 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid?
2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid has a molecular weight of 742.40 g/mol, XLogP of 6.95, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(3,4-dichlorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-4,5-dichlorobenzoic acid is sourced from PubChem (CID 167377546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).