methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate

C24H21Cl2N3O3 — CID 69418089

IUPACmethyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2/c(=N/c3ccc(OC)cc3)n(C)c3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C24H21Cl2N3O3/c1-28-21-12-19(25)20(26)13-22(21)29(14-15-4-6-16(7-5-15)23(30)32-3)24(28)27-17-8-10-18(31-2)11-9-17/h4-13H,14H2,1-3H3/b27-24+
InChIKeyUYOUASABYYCMOW-SOYKGTTHSA-N
MW470.36 g/mol
LogP5.36
Rot. Bonds5

About methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate

methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate (PubChem CID 69418089) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate
PubChem CID69418089
Molecular FormulaC24H21Cl2N3O3
Molecular Weight470.36 g/mol
Exact Mass469.10
IUPAC Namemethyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2/c(=N/c3ccc(OC)cc3)n(C)c3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C24H21Cl2N3O3/c1-28-21-12-19(25)20(26)13-22(21)29(14-15-4-6-16(7-5-15)23(30)32-3)24(28)27-17-8-10-18(31-2)11-9-17/h4-13H,14H2,1-3H3/b27-24+
InChIKeyUYOUASABYYCMOW-SOYKGTTHSA-N
XLogP5.36
TPSA57.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[2-[3-bromo-4-(trifluoromethoxy)phenyl]imino-5,6-dichloro-3-methylbenzimidazol-1-yl]methyl]benzoate
CID 87825175
4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11168984
4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11306983
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
[4-[[2-[4-(1-adamantyl)phenyl]imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]phenyl]methanol
CID 71158314
methyl 2,4-dichloro-5-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indole-7-carboxylate
CID 171842045
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
3-[[4-[[2-(4-chlorophenyl)imino-3-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 11191800
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-[[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 4232702
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
N-[(Z)-N-aminocarbamohydrazonoyl]-4-[[4-bromo-3-methyl-2-[4-(trifluoromethoxy)phenyl]imino-6-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide
CID 143077365

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate (CID 69418089) is methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2/c(=N/c3ccc(OC)cc3)n(C)c3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate?
The InChIKey is UYOUASABYYCMOW-SOYKGTTHSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-28-21-12-19(25)20(26)13-22(21)29(14-15-4-6-16(7-5-15)23(30)32-3)24(28)27-17-8-10-18(31-2)11-9-17/h4-13H,14H2,1-3H3/b27-24+.
What are the key properties of methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate?
methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate has a molecular weight of 470.36 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 69418089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).