5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

C15H16FN3S — CID 79505287

IUPAC5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCc1ccc(C2CN=C(N)N2c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FN3S/c1-2-12-7-8-14(20-12)13-9-18-15(17)19(13)11-5-3-10(16)4-6-11/h3-8,13H,2,9H2,1H3,(H2,17,18)
InChIKeyRSBXMZOQVLJVBF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.33
Rot. Bonds3

About 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505287) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505287
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESCCc1ccc(C2CN=C(N)N2c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FN3S/c1-2-12-7-8-14(20-12)13-9-18-15(17)19(13)11-5-3-10(16)4-6-11/h3-8,13H,2,9H2,1H3,(H2,17,18)
InChIKeyRSBXMZOQVLJVBF-UHFFFAOYSA-N
XLogP3.33
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79505287) is 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is CCc1ccc(C2CN=C(N)N2c2ccc(F)cc2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is RSBXMZOQVLJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c1-2-12-7-8-14(20-12)13-9-18-15(17)19(13)11-5-3-10(16)4-6-11/h3-8,13H,2,9H2,1H3,(H2,17,18).
What are the key properties of 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).