methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate

C18H14Cl2N2O2 — CID 141094208

IUPACmethyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cnc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-24-18(23)14-5-3-2-4-12(14)9-22-10-17(21-11-22)15-7-6-13(19)8-16(15)20/h2-8,10-11H,9H2,1H3
InChIKeyKRVKLMBUQZEKGE-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.69
Rot. Bonds4

About methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate

methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate (PubChem CID 141094208) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate
PubChem CID141094208
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Namemethyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cnc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-24-18(23)14-5-3-2-4-12(14)9-22-10-17(21-11-22)15-7-6-13(19)8-16(15)20/h2-8,10-11H,9H2,1H3
InChIKeyKRVKLMBUQZEKGE-UHFFFAOYSA-N
XLogP4.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
CID 142342439
methyl 2-[[4-[(5-chloro-2-methoxybenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402411
methyl 2-[[4-[(2,5-dichlorophenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344649
methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate
CID 20601286
methyl 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19400604
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 2-[(4-chloroindol-1-yl)methyl]benzoate
CID 82954358
methyl 2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]benzoate
CID 82976123
methyl 2-bromo-5-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 141449706
methyl 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzoate
CID 45110275
methyl 2-[(3-chlorophenyl)sulfinylmethyl]benzoate
CID 82969751
methyl 2-[(3,5-dichlorophenoxy)methoxymethyl]benzoate
CID 71371053

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate (CID 141094208) is methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate is COC(=O)c1ccccc1Cn1cnc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
The InChIKey is KRVKLMBUQZEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-24-18(23)14-5-3-2-4-12(14)9-22-10-17(21-11-22)15-7-6-13(19)8-16(15)20/h2-8,10-11H,9H2,1H3.
What are the key properties of methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate has a molecular weight of 361.23 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 141094208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).