methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate

C11H9ClN2O2 — CID 62250620

IUPACmethyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H9ClN2O2/c1-16-11(15)9-6-13-10(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyAHAUWNGWHPVGAI-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.52
Rot. Bonds2

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

methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate (PubChem CID 62250620) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate
PubChem CID62250620
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Namemethyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H9ClN2O2/c1-16-11(15)9-6-13-10(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyAHAUWNGWHPVGAI-UHFFFAOYSA-N
XLogP2.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
CID 118264
Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate
CID 96879
2-phenyl-1H-imidazole-4-carboxylic acid
CID 2738139
2-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11463590
ethyl 2-(4-chlorophenyl)-4-(3-morpholin-4-ylpropylcarbamothioylamino)-1H-imidazole-5-carboxylate
CID 44532969
1-(3-Chloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11347980
1H-imidazol-5-ylmethyl (Z)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate
CID 58503722
[18F]Ceto
CID 171390277
2-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11188040
2-(4-Chloro-phenyl)-1-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11232659
1-(2,4-Dichloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11302887
1,2-Bis-(4-chloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11348959

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate (CID 62250620) is methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate?
The InChIKey is AHAUWNGWHPVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-11(15)9-6-13-10(14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14).
What are the key properties of methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate?
methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate has a molecular weight of 236.66 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 62250620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).