(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol

C20H20F2N2O — CID 95138308

IUPAC(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
SMILESCc1ccc(F)c(-c2c(-c3ccccc3)ncn2CC[C@H](C)O)c1F
InChIInChI=1S/C20H20F2N2O/c1-13-8-9-16(21)17(18(13)22)20-19(15-6-4-3-5-7-15)23-12-24(20)11-10-14(2)25/h3-9,12,14,25H,10-11H2,1-2H3/t14-/m0/s1
InChIKeyJHLIDGVKCSRCBI-AWEZNQCLSA-N
MW342.39 g/mol
LogP4.57
Rot. Bonds5

About (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol

(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol (PubChem CID 95138308) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
PubChem CID95138308
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
SMILESCc1ccc(F)c(-c2c(-c3ccccc3)ncn2CC[C@H](C)O)c1F
InChIInChI=1S/C20H20F2N2O/c1-13-8-9-16(21)17(18(13)22)20-19(15-6-4-3-5-7-15)23-12-24(20)11-10-14(2)25/h3-9,12,14,25H,10-11H2,1-2H3/t14-/m0/s1
InChIKeyJHLIDGVKCSRCBI-AWEZNQCLSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole
CID 50967402
(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
CID 95126287
4,5-diphenyl-1-propylimidazole
CID 14950648
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
2-[5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-4-phenylimidazol-1-yl]ethanol
CID 50953740
methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
CID 50972369
7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 3435586
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
CID 10179650
3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
CID 70783823
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol?
The IUPAC name of (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol (CID 95138308) is (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol?
The canonical SMILES for (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol is Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2CC[C@H](C)O)c1F.
What is the InChIKey of (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol?
The InChIKey is JHLIDGVKCSRCBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-13-8-9-16(21)17(18(13)22)20-19(15-6-4-3-5-7-15)23-12-24(20)11-10-14(2)25/h3-9,12,14,25H,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol?
(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol has a molecular weight of 342.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol is sourced from PubChem (CID 95138308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).