2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole

C18H15FN2S — CID 10286401

IUPAC2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(-c2sc3ccc(F)cc3c2C2=NCCN2)cc1
InChIInChI=1S/C18H15FN2S/c1-11-2-4-12(5-3-11)17-16(18-20-8-9-21-18)14-10-13(19)6-7-15(14)22-17/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyBUSPUEKUZOBCCN-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.37
Rot. Bonds2

About 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole

2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 10286401) has the molecular formula C18H15FN2S and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID10286401
Molecular FormulaC18H15FN2S
Molecular Weight310.40 g/mol
Exact Mass310.09
IUPAC Name2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(-c2sc3ccc(F)cc3c2C2=NCCN2)cc1
InChIInChI=1S/C18H15FN2S/c1-11-2-4-12(5-3-11)17-16(18-20-8-9-21-18)14-10-13(19)6-7-15(14)22-17/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyBUSPUEKUZOBCCN-UHFFFAOYSA-N
XLogP4.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole 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-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole (CID 10286401) is 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole is Cc1ccc(-c2sc3ccc(F)cc3c2C2=NCCN2)cc1.
What is the InChIKey of 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is BUSPUEKUZOBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2S/c1-11-2-4-12(5-3-11)17-16(18-20-8-9-21-18)14-10-13(19)6-7-15(14)22-17/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole?
2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 310.40 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10286401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).