methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate

C11H8Cl2N2O2 — CID 62278570

IUPACmethyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-5-14-10(15-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15)
InChIKeyFNCSHXOYHWURQL-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.17
Rot. Bonds2

About methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate

methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate (PubChem CID 62278570) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
PubChem CID62278570
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Namemethyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-5-14-10(15-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15)
InChIKeyFNCSHXOYHWURQL-UHFFFAOYSA-N
XLogP3.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3,5-dichloro-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 79779929
methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 55050816
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
methyl 2-(4-chlorothiophen-2-yl)-1H-imidazole-5-carboxylate
CID 79426564
methyl 2-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxylate
CID 115568384
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385
methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 114016258
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
CID 63967860
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 82463550

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate (CID 62278570) is methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
The InChIKey is FNCSHXOYHWURQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-5-14-10(15-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15).
What are the key properties of methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate has a molecular weight of 271.10 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 62278570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).