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

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Related Compounds

2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397268
3-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43620966
2-[(4-propan-2-ylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 43585427
2-(indol-1-ylmethyl)furan-3-carboxylic acid
CID 43477625
2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
CID 62880492
2-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103251735
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
2-nitro-6-[(2-propan-2-ylimidazol-1-yl)methyl]benzoic acid
CID 104825593
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
CID 64810048
2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
CID 60873102

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).