methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate

C17H14Cl2N2O2 — CID 86717115

IUPACmethyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C17H14Cl2N2O2/c1-23-17(22)10-21-15-8-3-2-7-14(15)20-16(21)9-11-12(18)5-4-6-13(11)19/h2-8H,9-10H2,1H3
InChIKeyBZQDCMCKQXTCST-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.11
Rot. Bonds4

About methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate

methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate (PubChem CID 86717115) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
PubChem CID86717115
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Namemethyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C17H14Cl2N2O2/c1-23-17(22)10-21-15-8-3-2-7-14(15)20-16(21)9-11-12(18)5-4-6-13(11)19/h2-8H,9-10H2,1H3
InChIKeyBZQDCMCKQXTCST-UHFFFAOYSA-N
XLogP4.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 51066923
methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 71813736
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetate
CID 859540
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 42810558
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953
methyl 2-[2-[2-(2,5-dichlorophenyl)sulfonylethyl]benzimidazol-1-yl]acetate
CID 3722437
methyl 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16978586
3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 51066922
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate (CID 86717115) is methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate?
The InChIKey is BZQDCMCKQXTCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-23-17(22)10-21-15-8-3-2-7-14(15)20-16(21)9-11-12(18)5-4-6-13(11)19/h2-8H,9-10H2,1H3.
What are the key properties of methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate has a molecular weight of 349.22 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 86717115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).