2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole

C28H27FN2S — CID 143856122

IUPAC2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole
SMILESCCC(C)(c1cc2sc3ccccc3c2cc1-c1nccn1-c1ccccc1C)[C@@H](C)F
InChIInChI=1S/C28H27FN2S/c1-5-28(4,19(3)29)23-17-26-21(20-11-7-9-13-25(20)32-26)16-22(23)27-30-14-15-31(27)24-12-8-6-10-18(24)2/h6-17,19H,5H2,1-4H3/t19-,28?/m1/s1
InChIKeyPKFQWQOGFOSTCV-OJQMSQGESA-N
MW442.60 g/mol
LogP8.24
Rot. Bonds5

About 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole

2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole (PubChem CID 143856122) has the molecular formula C28H27FN2S and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole.

Molecular Properties

Compound Name2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole
PubChem CID143856122
Molecular FormulaC28H27FN2S
Molecular Weight442.60 g/mol
Exact Mass442.19
IUPAC Name2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole
SMILESCCC(C)(c1cc2sc3ccccc3c2cc1-c1nccn1-c1ccccc1C)[C@@H](C)F
InChIInChI=1S/C28H27FN2S/c1-5-28(4,19(3)29)23-17-26-21(20-11-7-9-13-25(20)32-26)16-22(23)27-30-14-15-31(27)24-12-8-6-10-18(24)2/h6-17,19H,5H2,1-4H3/t19-,28?/m1/s1
InChIKeyPKFQWQOGFOSTCV-OJQMSQGESA-N
XLogP8.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Tert-butyl-3-(3-phenylphenyl)-6-(3-thienyl)imidazo[1,2-a]pyridine
CID 71699384
3-[3-(Benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 86575029
N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 25056749
5-[[4-(1-Benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130538
5-[[4-(1-Benzothiophen-3-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130555
1-(2,4-Difluorophenyl)-2-(9,9-dimethylfluoren-2-yl)-4-(5-methylthiophen-2-yl)imidazole
CID 69790260
2-(3-Ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 121398030
2-(3-Ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 121405255
2-[3-Ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122536892
3-(1-Benzothiophen-2-ylmethyl)-2-ethyl-4-methyl-6-[1-(3-methylimidazol-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinoline
CID 129131680
2-(3-Ethylsulfanyl-6-methyl-1-benzothiophen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130380486
3-Methyl-6-(trifluoromethyl)-2-[5-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[4,5-b]pyridine
CID 132229321

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole?
The IUPAC name of 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole (CID 143856122) is 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole.
What is the SMILES notation for 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole?
The canonical SMILES for 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole is CCC(C)(c1cc2sc3ccccc3c2cc1-c1nccn1-c1ccccc1C)[C@@H](C)F.
What is the InChIKey of 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole?
The InChIKey is PKFQWQOGFOSTCV-OJQMSQGESA-N. The full InChI is InChI=1S/C28H27FN2S/c1-5-28(4,19(3)29)23-17-26-21(20-11-7-9-13-25(20)32-26)16-22(23)27-30-14-15-31(27)24-12-8-6-10-18(24)2/h6-17,19H,5H2,1-4H3/t19-,28?/m1/s1.
What are the key properties of 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole?
2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole has a molecular weight of 442.60 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-fluoro-3-methylpentan-3-yl]dibenzothiophen-2-yl]-1-(2-methylphenyl)imidazole is sourced from PubChem (CID 143856122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).