methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate

C17H12Cl2N2O2 — CID 157035630

IUPACmethyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate
SMILESCOC(=O)c1c(Cl)cc(-n2cnc(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C17H12Cl2N2O2/c1-23-17(22)16-13(18)7-12(8-14(16)19)21-9-15(20-10-21)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeySEPSNZMJRJJTJA-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.63
Rot. Bonds3

About methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate

methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate (PubChem CID 157035630) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate
PubChem CID157035630
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Namemethyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate
SMILESCOC(=O)c1c(Cl)cc(-n2cnc(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C17H12Cl2N2O2/c1-23-17(22)16-13(18)7-12(8-14(16)19)21-9-15(20-10-21)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeySEPSNZMJRJJTJA-UHFFFAOYSA-N
XLogP4.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
CID 67529175
(2S)-4-[2,6-dichloro-4-(4-phenylimidazol-1-yl)phenyl]-2-[[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]methyl]-4-oxobutanoic acid
CID 167660413
1-(4-tert-butylphenyl)-4-phenylimidazole
CID 174700905
methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 166506945
dimethyl 3-[4-(3,4-dichlorophenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389872
dimethyl 3-[2-(3,4-dichlorophenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389953
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
CID 134833852
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
dimethyl 1-phenyl-3-(2-phenylphenyl)pyrazole-4,5-dicarboxylate
CID 169387538

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate?
The IUPAC name of methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate (CID 157035630) is methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate.
What is the SMILES notation for methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate?
The canonical SMILES for methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate is COC(=O)c1c(Cl)cc(-n2cnc(-c3ccccc3)c2)cc1Cl.
What is the InChIKey of methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate?
The InChIKey is SEPSNZMJRJJTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-23-17(22)16-13(18)7-12(8-14(16)19)21-9-15(20-10-21)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate?
methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate has a molecular weight of 347.20 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-4-(4-phenylimidazol-1-yl)benzoate is sourced from PubChem (CID 157035630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).