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

C21H26FN3 — CID 25102722

IUPAC(5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCc1ccc(F)cc1
InChIInChI=1S/C21H26FN3/c1-16(2)14-20-15-23-21(24-19-6-4-3-5-7-19)25(20)13-12-17-8-10-18(22)11-9-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyHCXMEOJYOSXYAZ-FQEVSTJZSA-N
MW339.46 g/mol
LogP4.57
Rot. Bonds6

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

(5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102722) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is (5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID25102722
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name(5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCc1ccc(F)cc1
InChIInChI=1S/C21H26FN3/c1-16(2)14-20-15-23-21(24-19-6-4-3-5-7-19)25(20)13-12-17-8-10-18(22)11-9-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyHCXMEOJYOSXYAZ-FQEVSTJZSA-N
XLogP4.57
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.57
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-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 25102722) is (5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCc1ccc(F)cc1.
What is the InChIKey of (5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HCXMEOJYOSXYAZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26FN3/c1-16(2)14-20-15-23-21(24-19-6-4-3-5-7-19)25(20)13-12-17-8-10-18(22)11-9-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 339.46 g/mol, XLogP of 4.57, 6 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-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).