2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide

C18H18FN3OS — CID 71797189

IUPAC2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS/c1-22-12-15(16-3-2-10-24-16)21-17(22)8-9-20-18(23)11-13-4-6-14(19)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)
InChIKeyHZYCWKXPVUAXLV-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide (PubChem CID 71797189) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide
PubChem CID71797189
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS/c1-22-12-15(16-3-2-10-24-16)21-17(22)8-9-20-18(23)11-13-4-6-14(19)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)
InChIKeyHZYCWKXPVUAXLV-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide 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 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide (CID 71797189) is 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide is Cn1cc(-c2cccs2)nc1CCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
The InChIKey is HZYCWKXPVUAXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-22-12-15(16-3-2-10-24-16)21-17(22)8-9-20-18(23)11-13-4-6-14(19)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 71797189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).