5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid

C19H14N2O4 — CID 168554863

IUPAC5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc(-c3nc4ccccc4[nH]3)c2)o1
InChIInChI=1S/C19H14N2O4/c22-19(23)17-9-8-14(25-17)11-24-13-5-3-4-12(10-13)18-20-15-6-1-2-7-16(15)21-18/h1-10H,11H2,(H,20,21)(H,22,23)
InChIKeyLTUFQEVTADEMFF-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.10
Rot. Bonds5

About 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid

5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 168554863) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
PubChem CID168554863
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc(-c3nc4ccccc4[nH]3)c2)o1
InChIInChI=1S/C19H14N2O4/c22-19(23)17-9-8-14(25-17)11-24-13-5-3-4-12(10-13)18-20-15-6-1-2-7-16(15)21-18/h1-10H,11H2,(H,20,21)(H,22,23)
InChIKeyLTUFQEVTADEMFF-UHFFFAOYSA-N
XLogP4.10
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406860
2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole
CID 168554940
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 4974256
3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
CID 4915123
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 47012134
5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168552349
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
CID 117097680
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-carboxylic acid
CID 78929695
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid (CID 168554863) is 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(COc2cccc(-c3nc4ccccc4[nH]3)c2)o1.
What is the InChIKey of 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is LTUFQEVTADEMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-19(23)17-9-8-14(25-17)11-24-13-5-3-4-12(10-13)18-20-15-6-1-2-7-16(15)21-18/h1-10H,11H2,(H,20,21)(H,22,23).
What are the key properties of 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 168554863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).