2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide

C18H15ClFN3O2 — CID 50949156

IUPAC2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide
SMILESCOc1c(F)cc(-c2c(-c3ccccc3)ncn2CC(N)=O)cc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-25-18-13(19)7-12(8-14(18)20)17-16(11-5-3-2-4-6-11)22-10-23(17)9-15(21)24/h2-8,10H,9H2,1H3,(H2,21,24)
InChIKeyQVMYXOZYNXQBEN-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.50
Rot. Bonds5

About 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide

2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide (PubChem CID 50949156) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide
PubChem CID50949156
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide
SMILESCOc1c(F)cc(-c2c(-c3ccccc3)ncn2CC(N)=O)cc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-25-18-13(19)7-12(8-14(18)20)17-16(11-5-3-2-4-6-11)22-10-23(17)9-15(21)24/h2-8,10H,9H2,1H3,(H2,21,24)
InChIKeyQVMYXOZYNXQBEN-UHFFFAOYSA-N
XLogP3.50
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide?
The IUPAC name of 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide (CID 50949156) is 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide is COc1c(F)cc(-c2c(-c3ccccc3)ncn2CC(N)=O)cc1Cl.
What is the InChIKey of 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide?
The InChIKey is QVMYXOZYNXQBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-25-18-13(19)7-12(8-14(18)20)17-16(11-5-3-2-4-6-11)22-10-23(17)9-15(21)24/h2-8,10H,9H2,1H3,(H2,21,24).
What are the key properties of 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide?
2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide has a molecular weight of 359.79 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide is sourced from PubChem (CID 50949156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).