7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid

C26H30FN3O5 — CID 11784985

IUPAC7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)n1c(NC(=O)c2ccccc2)nc(-c2ccc(F)cc2)c1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C26H30FN3O5/c1-16(2)30-22(13-12-20(31)14-21(32)15-23(33)34)24(17-8-10-19(27)11-9-17)28-26(30)29-25(35)18-6-4-3-5-7-18/h3-11,16,20-21,31-32H,12-15H2,1-2H3,(H,33,34)(H,28,29,35)
InChIKeyOLMOANKHUSLGOS-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.04
Rot. Bonds11

About 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid

7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 11784985) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid
PubChem CID11784985
Molecular FormulaC26H30FN3O5
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)n1c(NC(=O)c2ccccc2)nc(-c2ccc(F)cc2)c1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C26H30FN3O5/c1-16(2)30-22(13-12-20(31)14-21(32)15-23(33)34)24(17-8-10-19(27)11-9-17)28-26(30)29-25(35)18-6-4-3-5-7-18/h3-11,16,20-21,31-32H,12-15H2,1-2H3,(H,33,34)(H,28,29,35)
InChIKeyOLMOANKHUSLGOS-UHFFFAOYSA-N
XLogP4.04
TPSA124.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid with MolForge

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Related Compounds

(3R,5R)-7-[5-[[3-(dimethylcarbamoyl)phenyl]carbamoyl]-3,4-bis(4-fluorophenyl)-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid
CID 11273749
7-[5-[chloro(phenyl)carbamoyl]-3,4-bis(4-fluorophenyl)-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid
CID 90690139
sodium;(3R,5R)-7-[3,4-bis(4-fluorophenyl)-5-[(4-hydroxyphenyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173183707
(3R,5R)-7-[3,4-bis(4-fluorophenyl)-5-[(4-methoxycarbonylphenyl)methylcarbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid
CID 11354255
sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173183659
sodium;(3R,5R)-7-[3-(4-fluorophenyl)-4-phenyl-1-propan-2-yl-5-(2-pyridin-3-ylethylcarbamoyl)pyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173183730
sodium;(3R,5R)-7-[1-(4-fluorophenyl)-4-oxo-3-propan-2-yl-5H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173199351
(3R,5R)-7-[2-(4-fluorophenyl)-4-[[(2S)-4-phenylbutan-2-yl]carbamoyl]-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
CID 11555656
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-phenylphenyl)methylcarbamoyl]-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
CID 24901662
7-[5-[benzyl(methoxy)carbamoyl]-3-(4-fluorophenyl)-4-phenyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid
CID 91008206
sodium;(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173165996
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 21029434

Frequently Asked Questions

What is the IUPAC name of 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid (CID 11784985) is 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid is CC(C)n1c(NC(=O)c2ccccc2)nc(-c2ccc(F)cc2)c1CCC(O)CC(O)CC(=O)O.
What is the InChIKey of 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is OLMOANKHUSLGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-16(2)30-22(13-12-20(31)14-21(32)15-23(33)34)24(17-8-10-19(27)11-9-17)28-26(30)29-25(35)18-6-4-3-5-7-18/h3-11,16,20-21,31-32H,12-15H2,1-2H3,(H,33,34)(H,28,29,35).
What are the key properties of 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 483.54 g/mol, XLogP of 4.04, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-benzamido-5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 11784985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).