N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide

C16H15N3O2 — CID 166215679

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccoc3)cc2)c1C
InChIInChI=1S/C16H15N3O2/c1-11-12(2)19(10-17-11)15-5-3-14(4-6-15)18-16(20)13-7-8-21-9-13/h3-10H,1-2H3,(H,18,20)
InChIKeyLDCJIEZBZMCHTO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.33
Rot. Bonds3

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide (PubChem CID 166215679) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
PubChem CID166215679
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccoc3)cc2)c1C
InChIInChI=1S/C16H15N3O2/c1-11-12(2)19(10-17-11)15-5-3-14(4-6-15)18-16(20)13-7-8-21-9-13/h3-10H,1-2H3,(H,18,20)
InChIKeyLDCJIEZBZMCHTO-UHFFFAOYSA-N
XLogP3.33
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 166327111
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
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
5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166197115
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide (CID 166215679) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3ccoc3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide?
The InChIKey is LDCJIEZBZMCHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-12(2)19(10-17-11)15-5-3-14(4-6-15)18-16(20)13-7-8-21-9-13/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 166215679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).