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

C20H17FN4OS — CID 24906017

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCc3ccco3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H17FN4OS/c1-27-20-24-18(13-4-6-15(21)7-5-13)19(25-20)14-8-9-22-17(11-14)23-12-16-3-2-10-26-16/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyPSYRSLQDJLAJOM-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.20
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine (PubChem CID 24906017) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine
PubChem CID24906017
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NCc3ccco3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H17FN4OS/c1-27-20-24-18(13-4-6-15(21)7-5-13)19(25-20)14-8-9-22-17(11-14)23-12-16-3-2-10-26-16/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyPSYRSLQDJLAJOM-UHFFFAOYSA-N
XLogP5.20
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine (CID 24906017) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine is CSc1nc(-c2ccnc(NCc3ccco3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine?
The InChIKey is PSYRSLQDJLAJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-27-20-24-18(13-4-6-15(21)7-5-13)19(25-20)14-8-9-22-17(11-14)23-12-16-3-2-10-26-16/h2-11H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(furan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 24906017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).