(4-imidazol-1-ylphenyl) furan-2-carboxylate

C14H10N2O3 — CID 836219

IUPAC(4-imidazol-1-ylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(-n2ccnc2)cc1)c1ccco1
InChIInChI=1S/C14H10N2O3/c17-14(13-2-1-9-18-13)19-12-5-3-11(4-6-12)16-8-7-15-10-16/h1-10H
InChIKeyCRTBFSJAACSPEP-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.68
Rot. Bonds3

About (4-imidazol-1-ylphenyl) furan-2-carboxylate

(4-imidazol-1-ylphenyl) furan-2-carboxylate (PubChem CID 836219) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl) furan-2-carboxylate
PubChem CID836219
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(4-imidazol-1-ylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(-n2ccnc2)cc1)c1ccco1
InChIInChI=1S/C14H10N2O3/c17-14(13-2-1-9-18-13)19-12-5-3-11(4-6-12)16-8-7-15-10-16/h1-10H
InChIKeyCRTBFSJAACSPEP-UHFFFAOYSA-N
XLogP2.68
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl(phenyl)methanone;1-phenylimidazole
CID 70272255
(4-imidazol-1-ylphenyl) acetate
CID 594823
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate
CID 929919
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] furan-2-carboxylate
CID 4256331
[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] furan-2-carboxylate
CID 7279861
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
[4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] furan-2-carboxylate
CID 6593763
4-(4-imidazol-1-ylphenoxy)pyridine-2-carboxylic acid
CID 67405266
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313018
ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
CID 47083356

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl) furan-2-carboxylate?
The IUPAC name of (4-imidazol-1-ylphenyl) furan-2-carboxylate (CID 836219) is (4-imidazol-1-ylphenyl) furan-2-carboxylate.
What is the SMILES notation for (4-imidazol-1-ylphenyl) furan-2-carboxylate?
The canonical SMILES for (4-imidazol-1-ylphenyl) furan-2-carboxylate is O=C(Oc1ccc(-n2ccnc2)cc1)c1ccco1.
What is the InChIKey of (4-imidazol-1-ylphenyl) furan-2-carboxylate?
The InChIKey is CRTBFSJAACSPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(13-2-1-9-18-13)19-12-5-3-11(4-6-12)16-8-7-15-10-16/h1-10H.
What are the key properties of (4-imidazol-1-ylphenyl) furan-2-carboxylate?
(4-imidazol-1-ylphenyl) furan-2-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl) furan-2-carboxylate is sourced from PubChem (CID 836219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).