ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate

C24H20Cl2N2O2 — CID 18315443

IUPACethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C24H20Cl2N2O2/c1-2-30-24(29)17-9-11-21-22(13-17)28(15-18-8-10-19(25)14-20(18)26)23(27-21)12-16-6-4-3-5-7-16/h3-11,13-14H,2,12,15H2,1H3
InChIKeyOOZOIDRCRZBELT-UHFFFAOYSA-N
MW439.34 g/mol
LogP6.16
Rot. Bonds6

About ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate

ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate (PubChem CID 18315443) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate
PubChem CID18315443
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Nameethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C24H20Cl2N2O2/c1-2-30-24(29)17-9-11-21-22(13-17)28(15-18-8-10-19(25)14-20(18)26)23(27-21)12-16-6-4-3-5-7-16/h3-11,13-14H,2,12,15H2,1H3
InChIKeyOOZOIDRCRZBELT-UHFFFAOYSA-N
XLogP6.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18680791
ethyl 3-[(2-chloro-4-ethylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508820
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 3-[(2-chloro-4-methoxycarbonylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467652
ethyl 3-[[2-chloro-4-[phenyl(phenylmethoxy)methyl]phenyl]methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467655
1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18681118
ethyl 3-[(2-chloro-4-nitrophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508700
7-(benzenesulfonyl)-2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxamide
CID 174401476
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18681136
ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
CID 18681064
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate (CID 18315443) is ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate is CCOC(=O)c1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate?
The InChIKey is OOZOIDRCRZBELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-2-30-24(29)17-9-11-21-22(13-17)28(15-18-8-10-19(25)14-20(18)26)23(27-21)12-16-6-4-3-5-7-16/h3-11,13-14H,2,12,15H2,1H3.
What are the key properties of ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate?
ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate has a molecular weight of 439.34 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 18315443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).