methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate

C12H11ClN2O3 — CID 116880369

IUPACmethyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccc(OC)cc2Cl)[nH]1
InChIInChI=1S/C12H11ClN2O3/c1-17-7-3-4-8(9(13)5-7)10-6-14-11(15-10)12(16)18-2/h3-6H,1-2H3,(H,14,15)
InChIKeyMJCVKLXYBKUETD-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.53
Rot. Bonds3

About methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate

methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate (PubChem CID 116880369) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate
PubChem CID116880369
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Namemethyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccc(OC)cc2Cl)[nH]1
InChIInChI=1S/C12H11ClN2O3/c1-17-7-3-4-8(9(13)5-7)10-6-14-11(15-10)12(16)18-2/h3-6H,1-2H3,(H,14,15)
InChIKeyMJCVKLXYBKUETD-UHFFFAOYSA-N
XLogP2.53
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(2-chloro-4-methoxyphenyl)-1H-imidazole
CID 116884290
[5-(2-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884142
methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116880373
2-[5-(2-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880039
methyl 4-chloro-1-(2-chloro-4-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961988
methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
CID 116880350
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole
CID 18755567
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82304592
2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate?
The IUPAC name of methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate (CID 116880369) is methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate is COC(=O)c1ncc(-c2ccc(OC)cc2Cl)[nH]1.
What is the InChIKey of methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate?
The InChIKey is MJCVKLXYBKUETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-17-7-3-4-8(9(13)5-7)10-6-14-11(15-10)12(16)18-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate?
methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate has a molecular weight of 266.68 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 116880369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).