2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid

C19H24N2O2 — CID 20668744

IUPAC2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid
SMILESCc1nccn1CCc1ccc(C(C(=O)O)C2CCCC2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-20-11-13-21(14)12-10-15-6-8-17(9-7-15)18(19(22)23)16-4-2-3-5-16/h6-9,11,13,16,18H,2-5,10,12H2,1H3,(H,22,23)
InChIKeyGWEYWCSPXBUONM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.79
Rot. Bonds6

About 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid

2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid (PubChem CID 20668744) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid
PubChem CID20668744
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid
SMILESCc1nccn1CCc1ccc(C(C(=O)O)C2CCCC2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-20-11-13-21(14)12-10-15-6-8-17(9-7-15)18(19(22)23)16-4-2-3-5-16/h6-9,11,13,16,18H,2-5,10,12H2,1H3,(H,22,23)
InChIKeyGWEYWCSPXBUONM-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid (CID 20668744) is 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid is Cc1nccn1CCc1ccc(C(C(=O)O)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid?
The InChIKey is GWEYWCSPXBUONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-20-11-13-21(14)12-10-15-6-8-17(9-7-15)18(19(22)23)16-4-2-3-5-16/h6-9,11,13,16,18H,2-5,10,12H2,1H3,(H,22,23).
What are the key properties of 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid?
2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid has a molecular weight of 312.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid is sourced from PubChem (CID 20668744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).