2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid

C13H14N2O2 — CID 83850349

IUPAC2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
SMILESCc1ccccc1-c1cnc(CC(=O)O)n1C
InChIInChI=1S/C13H14N2O2/c1-9-5-3-4-6-10(9)11-8-14-12(15(11)2)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeySMOSMPQXZWZDEQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.02
Rot. Bonds3

About 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid

2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid (PubChem CID 83850349) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
PubChem CID83850349
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
SMILESCc1ccccc1-c1cnc(CC(=O)O)n1C
InChIInChI=1S/C13H14N2O2/c1-9-5-3-4-6-10(9)11-8-14-12(15(11)2)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeySMOSMPQXZWZDEQ-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)acetic acid
CID 67440217
2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
CID 83848568
1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone
CID 134967681
2-[4-(2-methylphenyl)-1,2,4-triazol-3-yl]acetic acid
CID 82393478
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605394
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 866142
3-[3-(2-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid
CID 82289099
2-(5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83829431
3-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]propanoic acid
CID 82478955
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid (CID 83850349) is 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid is Cc1ccccc1-c1cnc(CC(=O)O)n1C.
What is the InChIKey of 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid?
The InChIKey is SMOSMPQXZWZDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-3-4-6-10(9)11-8-14-12(15(11)2)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid?
2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid is sourced from PubChem (CID 83850349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).