methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate

C17H13Cl3N2O2 — CID 71813736

IUPACmethyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C17H13Cl3N2O2/c1-24-17(23)9-22-15-8-13(20)12(19)7-14(15)21-16(22)6-10-4-2-3-5-11(10)18/h2-5,7-8H,6,9H2,1H3
InChIKeyUBIWJEUBOYEPCY-UHFFFAOYSA-N
MW383.66 g/mol
LogP4.76
Rot. Bonds4

About methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate

methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate (PubChem CID 71813736) has the molecular formula C17H13Cl3N2O2 and a molecular weight of 383.66 g/mol. Its IUPAC name is methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
PubChem CID71813736
Molecular FormulaC17H13Cl3N2O2
Molecular Weight383.66 g/mol
Exact Mass382.00
IUPAC Namemethyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C17H13Cl3N2O2/c1-24-17(23)9-22-15-8-13(20)12(19)7-14(15)21-16(22)6-10-4-2-3-5-11(10)18/h2-5,7-8H,6,9H2,1H3
InChIKeyUBIWJEUBOYEPCY-UHFFFAOYSA-N
XLogP4.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.66
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 86717115
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 83284817
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 83282235
ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
CID 83282441
methyl 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]acetate
CID 43659664
4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide
CID 83287710
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 42810164
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate (CID 71813736) is methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate?
The InChIKey is UBIWJEUBOYEPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O2/c1-24-17(23)9-22-15-8-13(20)12(19)7-14(15)21-16(22)6-10-4-2-3-5-11(10)18/h2-5,7-8H,6,9H2,1H3.
What are the key properties of methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate?
methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate has a molecular weight of 383.66 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 71813736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).