4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid

C17H16N2O3 — CID 97316457

IUPAC4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid
SMILESO=C1CN(Cc2ccccc2)[C@@H](c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C17H16N2O3/c20-15-11-19(10-12-4-2-1-3-5-12)16(18-15)13-6-8-14(9-7-13)17(21)22/h1-9,16H,10-11H2,(H,18,20)(H,21,22)/t16-/m0/s1
InChIKeyOJMSCBCDBWWSJZ-INIZCTEOSA-N
MW296.33 g/mol
LogP2.02
Rot. Bonds4

About 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid

4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid (PubChem CID 97316457) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid
PubChem CID97316457
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid
SMILESO=C1CN(Cc2ccccc2)[C@@H](c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C17H16N2O3/c20-15-11-19(10-12-4-2-1-3-5-12)16(18-15)13-6-8-14(9-7-13)17(21)22/h1-9,16H,10-11H2,(H,18,20)(H,21,22)/t16-/m0/s1
InChIKeyOJMSCBCDBWWSJZ-INIZCTEOSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid?
The IUPAC name of 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid (CID 97316457) is 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid.
What is the SMILES notation for 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid?
The canonical SMILES for 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid is O=C1CN(Cc2ccccc2)[C@@H](c2ccc(C(=O)O)cc2)N1.
What is the InChIKey of 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid?
The InChIKey is OJMSCBCDBWWSJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-15-11-19(10-12-4-2-1-3-5-12)16(18-15)13-6-8-14(9-7-13)17(21)22/h1-9,16H,10-11H2,(H,18,20)(H,21,22)/t16-/m0/s1.
What are the key properties of 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid?
4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-benzyl-4-oxoimidazolidin-2-yl]benzoic acid is sourced from PubChem (CID 97316457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).