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

C23H21FN4S — CID 11101536

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCc3ccc(C)cc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-15-3-5-16(6-4-15)14-26-20-13-18(11-12-25-20)22-21(27-23(28-22)29-2)17-7-9-19(24)10-8-17/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyGVGLHMXYNVASQP-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.92
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 11101536) 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-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID11101536
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCc3ccc(C)cc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-15-3-5-16(6-4-15)14-26-20-13-18(11-12-25-20)22-21(27-23(28-22)29-2)17-7-9-19(24)10-8-17/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyGVGLHMXYNVASQP-UHFFFAOYSA-N
XLogP5.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 11101536) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine is CSc1nc(-c2ccnc(NCc3ccc(C)cc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is GVGLHMXYNVASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4S/c1-15-3-5-16(6-4-15)14-26-20-13-18(11-12-25-20)22-21(27-23(28-22)29-2)17-7-9-19(24)10-8-17/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 404.51 g/mol, XLogP of 5.92, 6 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-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 11101536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).