(2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole

C28H26FN3 — CID 118262157

IUPAC(2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
SMILESCc1cc(F)n(-c2c(-c3ccccc3)cccc2-c2ccccc2)c1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C28H26FN3/c1-20-19-26(29)32(28(20)31-18-17-30(3)21(31)2)27-24(22-11-6-4-7-12-22)15-10-16-25(27)23-13-8-5-9-14-23/h4-19,21H,1-3H3/t21-/m0/s1
InChIKeyOITDJPHYLZRBBQ-NRFANRHFSA-N
MW423.54 g/mol
LogP6.83
Rot. Bonds4

About (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole

(2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole (PubChem CID 118262157) has the molecular formula C28H26FN3 and a molecular weight of 423.54 g/mol. Its IUPAC name is (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name(2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
PubChem CID118262157
Molecular FormulaC28H26FN3
Molecular Weight423.54 g/mol
Exact Mass423.21
IUPAC Name(2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
SMILESCc1cc(F)n(-c2c(-c3ccccc3)cccc2-c2ccccc2)c1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C28H26FN3/c1-20-19-26(29)32(28(20)31-18-17-30(3)21(31)2)27-24(22-11-6-4-7-12-22)15-10-16-25(27)23-13-8-5-9-14-23/h4-19,21H,1-3H3/t21-/m0/s1
InChIKeyOITDJPHYLZRBBQ-NRFANRHFSA-N
XLogP6.83
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
The IUPAC name of (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole (CID 118262157) is (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
The canonical SMILES for (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole is Cc1cc(F)n(-c2c(-c3ccccc3)cccc2-c2ccccc2)c1N1C=CN(C)[C@@H]1C.
What is the InChIKey of (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
The InChIKey is OITDJPHYLZRBBQ-NRFANRHFSA-N. The full InChI is InChI=1S/C28H26FN3/c1-20-19-26(29)32(28(20)31-18-17-30(3)21(31)2)27-24(22-11-6-4-7-12-22)15-10-16-25(27)23-13-8-5-9-14-23/h4-19,21H,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
(2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole has a molecular weight of 423.54 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2,6-diphenylphenyl)-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 118262157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).