(5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine

C18H20FN3 — CID 25102534

IUPAC(5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3/c1-14-13-20-18(21-17-5-3-2-4-6-17)22(14)12-11-15-7-9-16(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyIIXSYSXUQQQUTF-AWEZNQCLSA-N
MW297.38 g/mol
LogP3.54
Rot. Bonds4

About (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102534) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID25102534
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name(5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3/c1-14-13-20-18(21-17-5-3-2-4-6-17)22(14)12-11-15-7-9-16(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyIIXSYSXUQQQUTF-AWEZNQCLSA-N
XLogP3.54
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (CID 25102534) is (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(Nc2ccccc2)N1CCc1ccc(F)cc1.
What is the InChIKey of (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is IIXSYSXUQQQUTF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN3/c1-14-13-20-18(21-17-5-3-2-4-6-17)22(14)12-11-15-7-9-16(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-(4-fluorophenyl)ethyl]-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).