5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid

C15H13N3O3 — CID 104608250

IUPAC5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C15H13N3O3/c19-15(20)11-7-12(21-9-11)8-17-13-3-1-2-4-14(13)18-6-5-16-10-18/h1-7,9-10,17H,8H2,(H,19,20)
InChIKeyLHQNUTZNZCYJOL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.78
Rot. Bonds5

About 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid

5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid (PubChem CID 104608250) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid
PubChem CID104608250
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C15H13N3O3/c19-15(20)11-7-12(21-9-11)8-17-13-3-1-2-4-14(13)18-6-5-16-10-18/h1-7,9-10,17H,8H2,(H,19,20)
InChIKeyLHQNUTZNZCYJOL-UHFFFAOYSA-N
XLogP2.78
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608536
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
CID 104608047
5-[[2-[(dimethylamino)methyl]anilino]methyl]furan-3-carboxylic acid
CID 104608604
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylic acid
CID 104608807
5-[(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608404
5-[[3-(1,2,4-triazol-4-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608356
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid
CID 104608704

Frequently Asked Questions

What is the IUPAC name of 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid (CID 104608250) is 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNc2ccccc2-n2ccnc2)c1.
What is the InChIKey of 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid?
The InChIKey is LHQNUTZNZCYJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(20)11-7-12(21-9-11)8-17-13-3-1-2-4-14(13)18-6-5-16-10-18/h1-7,9-10,17H,8H2,(H,19,20).
What are the key properties of 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid?
5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).