2-imidazolidin-2-yl-4-methylbenzoic acid

C11H14N2O2 — CID 54188298

IUPAC2-imidazolidin-2-yl-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(C2NCCN2)c1
InChIInChI=1S/C11H14N2O2/c1-7-2-3-8(11(14)15)9(6-7)10-12-4-5-13-10/h2-3,6,10,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyPGRPUNCRVGYFEX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.88
Rot. Bonds2

About 2-imidazolidin-2-yl-4-methylbenzoic acid

2-imidazolidin-2-yl-4-methylbenzoic acid (PubChem CID 54188298) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-imidazolidin-2-yl-4-methylbenzoic acid.

Molecular Properties

Compound Name2-imidazolidin-2-yl-4-methylbenzoic acid
PubChem CID54188298
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-imidazolidin-2-yl-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(C2NCCN2)c1
InChIInChI=1S/C11H14N2O2/c1-7-2-3-8(11(14)15)9(6-7)10-12-4-5-13-10/h2-3,6,10,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyPGRPUNCRVGYFEX-UHFFFAOYSA-N
XLogP0.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-imidazolidin-2-yl-4-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]phenyl]benzoic acid
CID 44341651
2,5-Bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
CID 464168
Benzoic acid, 2-(((2-(1-pyrrolidinyl)ethyl)amino)carbonyl)-, hydrate
CID 3052197
1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid
CID 21888155
2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]benzoic acid
CID 44341650
1-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 12850266
4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 23136837
2,3-dihydro-1H-isoindole-5-carboxylic acid hydrobromide
CID 50987362
2,3-dihydro-1H-isoindole-5-carboxylic acid hydrochloride
CID 52988140
2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxylic acid hydrochloride
CID 70207234
2,3-dihydro-1H-isoindole-4-carboxylic acid hydrochloride
CID 91828035
1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid hydrochloride
CID 121234990

Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-2-yl-4-methylbenzoic acid?
The IUPAC name of 2-imidazolidin-2-yl-4-methylbenzoic acid (CID 54188298) is 2-imidazolidin-2-yl-4-methylbenzoic acid.
What is the SMILES notation for 2-imidazolidin-2-yl-4-methylbenzoic acid?
The canonical SMILES for 2-imidazolidin-2-yl-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(C2NCCN2)c1.
What is the InChIKey of 2-imidazolidin-2-yl-4-methylbenzoic acid?
The InChIKey is PGRPUNCRVGYFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-2-3-8(11(14)15)9(6-7)10-12-4-5-13-10/h2-3,6,10,12-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-imidazolidin-2-yl-4-methylbenzoic acid?
2-imidazolidin-2-yl-4-methylbenzoic acid has a molecular weight of 206.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-2-yl-4-methylbenzoic acid is sourced from PubChem (CID 54188298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).