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

C19H17FN2O2 — CID 82560948

IUPACmethyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1ccnc1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-24-19(23)17-5-3-2-4-15(17)13-22-11-10-21-18(22)12-14-6-8-16(20)9-7-14/h2-11H,12-13H2,1H3
InChIKeyFICRZUGAMSVFAB-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.45
Rot. Bonds5

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

methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate (PubChem CID 82560948) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
PubChem CID82560948
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namemethyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1ccnc1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-24-19(23)17-5-3-2-4-15(17)13-22-11-10-21-18(22)12-14-6-8-16(20)9-7-14/h2-11H,12-13H2,1H3
InChIKeyFICRZUGAMSVFAB-UHFFFAOYSA-N
XLogP3.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[(4-fluorophenyl)methyl]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

Related Compounds

methyl 2-[[2-(pyridin-3-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560938
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982
2-[[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560231
methyl 4-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82561071
methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate
CID 82561053
methyl 2-[[5-bromo-4-[(4-fluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzoate
CID 21090181
2-[[2-[(4-aminophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558661
2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82558374
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
CID 82561345
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate (CID 82560948) is methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate is COC(=O)c1ccccc1Cn1ccnc1Cc1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate?
The InChIKey is FICRZUGAMSVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-24-19(23)17-5-3-2-4-15(17)13-22-11-10-21-18(22)12-14-6-8-16(20)9-7-14/h2-11H,12-13H2,1H3.
What are the key properties of methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate?
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate has a molecular weight of 324.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 82560948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).