N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine

C20H23FN4S — CID 11014118

IUPACN-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
SMILESCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NCC)c1
InChIInChI=1S/C20H23FN4S/c1-4-12-25-19(15-10-11-23-17(13-15)22-5-2)18(24-20(25)26-3)14-6-8-16(21)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyNOZSDSJXKFXOND-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.31
Rot. Bonds7

About N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine

N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine (PubChem CID 11014118) has the molecular formula C20H23FN4S and a molecular weight of 370.50 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
PubChem CID11014118
Molecular FormulaC20H23FN4S
Molecular Weight370.50 g/mol
Exact Mass370.16
IUPAC NameN-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
SMILESCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NCC)c1
InChIInChI=1S/C20H23FN4S/c1-4-12-25-19(15-10-11-23-17(13-15)22-5-2)18(24-20(25)26-3)14-6-8-16(21)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyNOZSDSJXKFXOND-UHFFFAOYSA-N
XLogP5.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine (CID 11014118) is N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine is CCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NCC)c1.
What is the InChIKey of N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
The InChIKey is NOZSDSJXKFXOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4S/c1-4-12-25-19(15-10-11-23-17(13-15)22-5-2)18(24-20(25)26-3)14-6-8-16(21)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine?
N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine has a molecular weight of 370.50 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 11014118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).