2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid

C23H25NO2 — CID 10066284

IUPAC2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
SMILESCCCCn1c(C)c(CC(=O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-4-15-24-17(2)20(16-21(25)26)22(18-11-7-5-8-12-18)23(24)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3,(H,25,26)
InChIKeyYSEVPXPEGUFFGJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.56
Rot. Bonds7

About 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid

2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid (PubChem CID 10066284) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
PubChem CID10066284
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
SMILESCCCCn1c(C)c(CC(=O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-4-15-24-17(2)20(16-21(25)26)22(18-11-7-5-8-12-18)23(24)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3,(H,25,26)
InChIKeyYSEVPXPEGUFFGJ-UHFFFAOYSA-N
XLogP5.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82250902
6-butyl-5-methyl-7-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 21496072
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
dihydroxy(oxo)phosphanium;1-heptyl-3,4,5-triphenylimidazol-2-one
CID 70278239
sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride
CID 173291482
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
CID 135898565
2-(1-butyl-5-phenylimidazol-2-yl)sulfanylacetic acid
CID 43327210
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid?
The IUPAC name of 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid (CID 10066284) is 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid?
The canonical SMILES for 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid is CCCCn1c(C)c(CC(=O)O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid?
The InChIKey is YSEVPXPEGUFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-4-15-24-17(2)20(16-21(25)26)22(18-11-7-5-8-12-18)23(24)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid?
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid has a molecular weight of 347.46 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid is sourced from PubChem (CID 10066284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).