2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid

C15H18N2O2 — CID 113314417

IUPAC2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
SMILESCC(C)c1nccn1Cc1ccccc1CC(=O)O
InChIInChI=1S/C15H18N2O2/c1-11(2)15-16-7-8-17(15)10-13-6-4-3-5-12(13)9-14(18)19/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeySYGJNFFZZOXAIY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds5

About 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid

2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid (PubChem CID 113314417) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
PubChem CID113314417
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
SMILESCC(C)c1nccn1Cc1ccccc1CC(=O)O
InChIInChI=1S/C15H18N2O2/c1-11(2)15-16-7-8-17(15)10-13-6-4-3-5-12(13)9-14(18)19/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeySYGJNFFZZOXAIY-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
2-nitro-6-[(2-propan-2-ylimidazol-1-yl)methyl]benzoic acid
CID 104825593
3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 62464912
2-[2-[(2-formylimidazol-1-yl)methyl]phenyl]acetic acid
CID 115463139
4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
CID 79240800
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 107113824
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid
CID 63074432
2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]benzenecarbothioamide
CID 107115809
methyl 2-phenyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 64564775
2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 43477624
3-[3-fluoro-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76908354
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid (CID 113314417) is 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid is CC(C)c1nccn1Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid?
The InChIKey is SYGJNFFZZOXAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)15-16-7-8-17(15)10-13-6-4-3-5-12(13)9-14(18)19/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid?
2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 113314417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).