4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine

C23H21FN4S — CID 10971477

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-29-23-27-21(17-7-9-19(24)10-8-17)22(28-23)18-12-14-26-20(15-18)25-13-11-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyUETJFNLFLVHJIO-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.65
Rot. Bonds7

About 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 10971477) has the molecular formula C23H21FN4S and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
PubChem CID10971477
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-29-23-27-21(17-7-9-19(24)10-8-17)22(28-23)18-12-14-26-20(15-18)25-13-11-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyUETJFNLFLVHJIO-UHFFFAOYSA-N
XLogP5.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine 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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 11101536
ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine
CID 142863963
4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-chloropyridine
CID 11732012
N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide
CID 155512392
(E)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 52945955
N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11732208
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444
N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 67537630
4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 154699724
N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 163228493
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
4-[5-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine
CID 70104293

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine (CID 10971477) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine is CSc1nc(-c2ccnc(NCCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is UETJFNLFLVHJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4S/c1-29-23-27-21(17-7-9-19(24)10-8-17)22(28-23)18-12-14-26-20(15-18)25-13-11-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 404.51 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 10971477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).