methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate

C11H8Cl2N2O2 — CID 55050816

IUPACmethyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-5-14-10(15-9)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15)
InChIKeyQHEVHUZQQSFTHK-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.17
Rot. Bonds2

About methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate

methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate (PubChem CID 55050816) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
PubChem CID55050816
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Namemethyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-5-14-10(15-9)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15)
InChIKeyQHEVHUZQQSFTHK-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-bromo-4-chlorophenyl)-1H-imidazole-5-carboxylate
CID 115568384
methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 114016258
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 2-(3,5-dichloro-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 79779929
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
methyl 2-(4-chlorothiophen-2-yl)-1H-imidazole-5-carboxylate
CID 79426564
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
methyl 2-pyrimidin-4-yl-1H-imidazole-5-carboxylate
CID 63989948
methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 91048260

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate (CID 55050816) is methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
The InChIKey is QHEVHUZQQSFTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-11(16)9-5-14-10(15-9)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15).
What are the key properties of methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate?
methyl 2-(3,4-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-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 55050816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).