methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate

C13H12Cl2N2O2 — CID 82561099

IUPACmethyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2/c1-19-13(18)8-17-3-2-16-12(17)6-9-4-10(14)7-11(15)5-9/h2-5,7H,6,8H2,1H3
InChIKeyXWMHHHWCIHKCKJ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.95
Rot. Bonds4

About methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate

methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate (PubChem CID 82561099) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
PubChem CID82561099
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Namemethyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2/c1-19-13(18)8-17-3-2-16-12(17)6-9-4-10(14)7-11(15)5-9/h2-5,7H,6,8H2,1H3
InChIKeyXWMHHHWCIHKCKJ-UHFFFAOYSA-N
XLogP2.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide
CID 82558466
methyl 2-[2-[(3-aminophenyl)methyl]imidazol-1-yl]acetate
CID 82558676
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
3-chloro-5-[(1-propylimidazol-2-yl)methyl]benzoic acid
CID 114020606
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
CID 82561148
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
methyl 3-[(1-ethylimidazol-2-yl)methyl]-5-fluorobenzoate
CID 103186484
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate (CID 82561099) is methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate is COC(=O)Cn1ccnc1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate?
The InChIKey is XWMHHHWCIHKCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-19-13(18)8-17-3-2-16-12(17)6-9-4-10(14)7-11(15)5-9/h2-5,7H,6,8H2,1H3.
What are the key properties of methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate?
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate has a molecular weight of 299.16 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate is sourced from PubChem (CID 82561099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).