methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate

C18H15BrN2O2 — CID 82561345

IUPACmethyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1ccnc1-c1cccc(Br)c1
InChIInChI=1S/C18H15BrN2O2/c1-23-18(22)16-8-3-2-5-14(16)12-21-10-9-20-17(21)13-6-4-7-15(19)11-13/h2-11H,12H2,1H3
InChIKeyMAACLRZHNSBNSL-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.15
Rot. Bonds4

About methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate

methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate (PubChem CID 82561345) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
PubChem CID82561345
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Namemethyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1ccnc1-c1cccc(Br)c1
InChIInChI=1S/C18H15BrN2O2/c1-23-18(22)16-8-3-2-5-14(16)12-21-10-9-20-17(21)13-6-4-7-15(19)11-13/h2-11H,12H2,1H3
InChIKeyMAACLRZHNSBNSL-UHFFFAOYSA-N
XLogP4.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate (CID 82561345) is methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate is COC(=O)c1ccccc1Cn1ccnc1-c1cccc(Br)c1.
What is the InChIKey of methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate?
The InChIKey is MAACLRZHNSBNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-23-18(22)16-8-3-2-5-14(16)12-21-10-9-20-17(21)13-6-4-7-15(19)11-13/h2-11H,12H2,1H3.
What are the key properties of methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate?
methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate has a molecular weight of 371.23 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 82561345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).