(4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole

C15H12F2N2 — CID 69318312

IUPAC(4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc([C@H]2N=CN[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C15H12F2N2/c16-12-5-1-3-10(7-12)14-15(19-9-18-14)11-4-2-6-13(17)8-11/h1-9,14-15H,(H,18,19)/t14-,15+
InChIKeyRZGUPLLVVARSRL-GASCZTMLSA-N
MW258.27 g/mol
LogP3.38
Rot. Bonds2

About (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 69318312) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID69318312
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name(4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc([C@H]2N=CN[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C15H12F2N2/c16-12-5-1-3-10(7-12)14-15(19-9-18-14)11-4-2-6-13(17)8-11/h1-9,14-15H,(H,18,19)/t14-,15+
InChIKeyRZGUPLLVVARSRL-GASCZTMLSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole (CID 69318312) is (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole is Fc1cccc([C@H]2N=CN[C@H]2c2cccc(F)c2)c1.
What is the InChIKey of (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is RZGUPLLVVARSRL-GASCZTMLSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-12-5-1-3-10(7-12)14-15(19-9-18-14)11-4-2-6-13(17)8-11/h1-9,14-15H,(H,18,19)/t14-,15+.
What are the key properties of (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 258.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 69318312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).