methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate

C12H10Cl2N2O2 — CID 58958507

IUPACmethyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-12(17)10-6-15-11(16-10)5-7-8(13)3-2-4-9(7)14/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyTUZPBDIFPMZOAG-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.09
Rot. Bonds3

About methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate

methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate (PubChem CID 58958507) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
PubChem CID58958507
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Namemethyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-12(17)10-6-15-11(16-10)5-7-8(13)3-2-4-9(7)14/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyTUZPBDIFPMZOAG-UHFFFAOYSA-N
XLogP3.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 62904204
ethyl 2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022661
methyl 2-[(2-methylphenyl)sulfanylmethyl]-1H-imidazole-5-carboxylate
CID 66097402
methyl 2-(2,2-dimethylpropyl)-1H-imidazole-5-carboxylate
CID 63891750
methyl 4-amino-2-[(2,6-dichlorophenyl)methyl]pyrimidine-5-carboxylate
CID 116646730
N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109629
2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70754474
methyl 2-(ethylsulfanylmethyl)-1H-imidazole-5-carboxylate
CID 65127873
5-bromo-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 66316991
methyl 2-(propoxymethyl)-1H-imidazole-5-carboxylate
CID 62250995
2-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251173
2-[(2,6-dichlorophenyl)methyl]-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70743432

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate (CID 58958507) is methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate is COC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]1.
What is the InChIKey of methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate?
The InChIKey is TUZPBDIFPMZOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-18-12(17)10-6-15-11(16-10)5-7-8(13)3-2-4-9(7)14/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate?
methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate has a molecular weight of 285.13 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 58958507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).