2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid

C12H14N2O3 — CID 43477624

IUPAC2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
SMILESCC(C)c1nccn1Cc1occc1C(=O)O
InChIInChI=1S/C12H14N2O3/c1-8(2)11-13-4-5-14(11)7-10-9(12(15)16)3-6-17-10/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyUTMKYAOEJDEWHA-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.35
Rot. Bonds4

About 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid

2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 43477624) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
PubChem CID43477624
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
SMILESCC(C)c1nccn1Cc1occc1C(=O)O
InChIInChI=1S/C12H14N2O3/c1-8(2)11-13-4-5-14(11)7-10-9(12(15)16)3-6-17-10/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyUTMKYAOEJDEWHA-UHFFFAOYSA-N
XLogP2.35
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid (CID 43477624) is 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid is CC(C)c1nccn1Cc1occc1C(=O)O.
What is the InChIKey of 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is UTMKYAOEJDEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(2)11-13-4-5-14(11)7-10-9(12(15)16)3-6-17-10/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid?
2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).