5-(1-methylimidazol-2-yl)furan-3-carboxylic acid

C9H8N2O3 — CID 130653758

IUPAC5-(1-methylimidazol-2-yl)furan-3-carboxylic acid
SMILESCn1ccnc1-c1cc(C(=O)O)co1
InChIInChI=1S/C9H8N2O3/c1-11-3-2-10-8(11)7-4-6(5-14-7)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyQECFUALVRDPNCB-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.38
Rot. Bonds2

About 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid

5-(1-methylimidazol-2-yl)furan-3-carboxylic acid (PubChem CID 130653758) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)furan-3-carboxylic acid
PubChem CID130653758
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-(1-methylimidazol-2-yl)furan-3-carboxylic acid
SMILESCn1ccnc1-c1cc(C(=O)O)co1
InChIInChI=1S/C9H8N2O3/c1-11-3-2-10-8(11)7-4-6(5-14-7)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyQECFUALVRDPNCB-UHFFFAOYSA-N
XLogP1.38
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117
4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306
3-chloro-5-(1-methylimidazol-2-yl)benzoic acid
CID 107957248
5-acetylfuran-3-carboxylic acid
CID 10654434
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155
5-trimethylsilylfuran-3-carboxylic acid
CID 13333561
5-(1-propan-2-ylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 122560785
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1,2-dimethylimidazole;urea
CID 174990589
5-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 62350361

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid?
The IUPAC name of 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid (CID 130653758) is 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid?
The canonical SMILES for 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid is Cn1ccnc1-c1cc(C(=O)O)co1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid?
The InChIKey is QECFUALVRDPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-3-2-10-8(11)7-4-6(5-14-7)9(12)13/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid?
5-(1-methylimidazol-2-yl)furan-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)furan-3-carboxylic acid is sourced from PubChem (CID 130653758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).