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

C23H21FN4S — CID 10862355

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESCSc1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1
InChIKeyVXPWQNBKEIVYIS-OAHLLOKOSA-N
MW404.51 g/mol
LogP6.17
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine (PubChem CID 10862355) 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-[(1R)-1-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
PubChem CID10862355
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESCSc1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1
InChIKeyVXPWQNBKEIVYIS-OAHLLOKOSA-N
XLogP6.17
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 ≤ 56.17
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-[(1R)-1-phenylethyl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine (CID 10862355) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine is CSc1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The InChIKey is VXPWQNBKEIVYIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1.
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine has a molecular weight of 404.51 g/mol, XLogP of 6.17, 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-[(1R)-1-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 10862355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).