2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid

C14H16N2O2 — CID 117362627

IUPAC2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
SMILESCC(Cc1ccccc1-c1nccn1C)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-10(14(17)18)9-11-5-3-4-6-12(11)13-15-7-8-16(13)2/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyJDMSBHIGSIWZCW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.35
Rot. Bonds4

About 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid

2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid (PubChem CID 117362627) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
PubChem CID117362627
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
SMILESCC(Cc1ccccc1-c1nccn1C)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-10(14(17)18)9-11-5-3-4-6-12(11)13-15-7-8-16(13)2/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyJDMSBHIGSIWZCW-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
3-[2-(1-methylimidazol-2-yl)phenyl]propan-1-amine
CID 117307087
1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine
CID 63976847
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
ethane;1-methyl-2-phenylimidazole
CID 142155183
1-[2-(1-methylimidazol-2-yl)phenyl]ethanesulfinate
CID 174688200
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid
CID 117335940
2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117332408
3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid
CID 83842801
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
2-amino-3-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117365060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid (CID 117362627) is 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid is CC(Cc1ccccc1-c1nccn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid?
The InChIKey is JDMSBHIGSIWZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(14(17)18)9-11-5-3-4-6-12(11)13-15-7-8-16(13)2/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid?
2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 117362627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).