2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid

C14H14N2O2 — CID 84737107

IUPAC2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1-c1cncn1C1CC1
InChIInChI=1S/C14H14N2O2/c17-14(18)7-10-3-1-2-4-12(10)13-8-15-9-16(13)11-5-6-11/h1-4,8-9,11H,5-7H2,(H,17,18)
InChIKeyRWMNVFFYALYROY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid

2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid (PubChem CID 84737107) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid
PubChem CID84737107
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1-c1cncn1C1CC1
InChIInChI=1S/C14H14N2O2/c17-14(18)7-10-3-1-2-4-12(10)13-8-15-9-16(13)11-5-6-11/h1-4,8-9,11H,5-7H2,(H,17,18)
InChIKeyRWMNVFFYALYROY-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethylimidazol-4-yl)phenyl]acetic acid
CID 115037733
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482
3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid
CID 115054937
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
1-[(3R,4R)-3-hydroxy-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]ethanone
CID 129296462
1-[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]ethanone
CID 129282717
(3S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,1-dioxothiolan-3-ol
CID 129283059
(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
CID 137412980
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402347
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
CID 122628175
(5S,6R)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
CID 146484794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid (CID 84737107) is 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid is O=C(O)Cc1ccccc1-c1cncn1C1CC1.
What is the InChIKey of 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid?
The InChIKey is RWMNVFFYALYROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)7-10-3-1-2-4-12(10)13-8-15-9-16(13)11-5-6-11/h1-4,8-9,11H,5-7H2,(H,17,18).
What are the key properties of 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid?
2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid has a molecular weight of 242.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid is sourced from PubChem (CID 84737107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).