5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide

C17H14N4O2 — CID 166197115

IUPAC5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccc(C#N)o3)cc2)c1C
InChIInChI=1S/C17H14N4O2/c1-11-12(2)21(10-19-11)14-5-3-13(4-6-14)20-17(22)16-8-7-15(9-18)23-16/h3-8,10H,1-2H3,(H,20,22)
InChIKeySGXSTOTUYKLJLC-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.21
Rot. Bonds3

About 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide

5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 166197115) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID166197115
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccc(C#N)o3)cc2)c1C
InChIInChI=1S/C17H14N4O2/c1-11-12(2)21(10-19-11)14-5-3-13(4-6-14)20-17(22)16-8-7-15(9-18)23-16/h3-8,10H,1-2H3,(H,20,22)
InChIKeySGXSTOTUYKLJLC-UHFFFAOYSA-N
XLogP3.21
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 167980158
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 166215739
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 166215842
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 166340631
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-(hydroxymethyl)-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166327067

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide (CID 166197115) is 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3ccc(C#N)o3)cc2)c1C.
What is the InChIKey of 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is SGXSTOTUYKLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11-12(2)21(10-19-11)14-5-3-13(4-6-14)20-17(22)16-8-7-15(9-18)23-16/h3-8,10H,1-2H3,(H,20,22).
What are the key properties of 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 166197115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).