2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid

C15H18N2O2 — CID 10445233

IUPAC2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid
SMILESO=C(O)C(CCCc1cnc[nH]1)Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15(19)13(9-12-5-2-1-3-6-12)7-4-8-14-10-16-11-17-14/h1-3,5-6,10-11,13H,4,7-9H2,(H,16,17)(H,18,19)
InChIKeyRYFWGUSHYGUOFJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds7

About 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid

2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid (PubChem CID 10445233) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid
PubChem CID10445233
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid
SMILESO=C(O)C(CCCc1cnc[nH]1)Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15(19)13(9-12-5-2-1-3-6-12)7-4-8-14-10-16-11-17-14/h1-3,5-6,10-11,13H,4,7-9H2,(H,16,17)(H,18,19)
InChIKeyRYFWGUSHYGUOFJ-UHFFFAOYSA-N
XLogP2.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid?
The IUPAC name of 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid (CID 10445233) is 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid.
What is the SMILES notation for 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid?
The canonical SMILES for 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid is O=C(O)C(CCCc1cnc[nH]1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid?
The InChIKey is RYFWGUSHYGUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)13(9-12-5-2-1-3-6-12)7-4-8-14-10-16-11-17-14/h1-3,5-6,10-11,13H,4,7-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid?
2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(1H-imidazol-5-yl)pentanoic acid is sourced from PubChem (CID 10445233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).