methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate

C18H14Cl2N2O2 — CID 82561375

IUPACmethyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccnc2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-24-18(23)13-7-5-12(6-8-13)11-22-10-9-21-17(22)14-3-2-4-15(19)16(14)20/h2-10H,11H2,1H3
InChIKeySVORSBINZMKRNH-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.69
Rot. Bonds4

About methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate

methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate (PubChem CID 82561375) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
PubChem CID82561375
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Namemethyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccnc2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-24-18(23)13-7-5-12(6-8-13)11-22-10-9-21-17(22)14-3-2-4-15(19)16(14)20/h2-10H,11H2,1H3
InChIKeySVORSBINZMKRNH-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

methyl 4-[[2-(trichloromethyl)imidazol-1-yl]methyl]benzoate
CID 82561237
4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561753
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
CID 62223550
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
methyl 1-(2,3-dichlorophenyl)isoquinoline-7-carboxylate
CID 67960992
methyl 4-[[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]methyl]benzoate
CID 58127735
methyl 3-[[2-(3,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561233
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
methyl 4-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoate
CID 61224361

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate (CID 82561375) is methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2ccnc2-c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
The InChIKey is SVORSBINZMKRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-24-18(23)13-7-5-12(6-8-13)11-22-10-9-21-17(22)14-3-2-4-15(19)16(14)20/h2-10H,11H2,1H3.
What are the key properties of methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate?
methyl 4-[[2-(2,3-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 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 82561375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).