methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate

C21H21FN2O3 — CID 50972369

IUPACmethyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
SMILESCOC(=O)CCCn1cnc(-c2ccccc2)c1-c1cc(OC)ccc1F
InChIInChI=1S/C21H21FN2O3/c1-26-16-10-11-18(22)17(13-16)21-20(15-7-4-3-5-8-15)23-14-24(21)12-6-9-19(25)27-2/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3
InChIKeyBQZJTQWIQCMSGD-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.32
Rot. Bonds7

About methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate

methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate (PubChem CID 50972369) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
PubChem CID50972369
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Namemethyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
SMILESCOC(=O)CCCn1cnc(-c2ccccc2)c1-c1cc(OC)ccc1F
InChIInChI=1S/C21H21FN2O3/c1-26-16-10-11-18(22)17(13-16)21-20(15-7-4-3-5-8-15)23-14-24(21)12-6-9-19(25)27-2/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3
InChIKeyBQZJTQWIQCMSGD-UHFFFAOYSA-N
XLogP4.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate 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 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate?
The IUPAC name of methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate (CID 50972369) is methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate.
What is the SMILES notation for methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate?
The canonical SMILES for methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate is COC(=O)CCCn1cnc(-c2ccccc2)c1-c1cc(OC)ccc1F.
What is the InChIKey of methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate?
The InChIKey is BQZJTQWIQCMSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-26-16-10-11-18(22)17(13-16)21-20(15-7-4-3-5-8-15)23-14-24(21)12-6-9-19(25)27-2/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3.
What are the key properties of methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate?
methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate has a molecular weight of 368.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate is sourced from PubChem (CID 50972369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).