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

C16H15N3O2 — CID 166215878

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccco3)cc2)c1C
InChIInChI=1S/C16H15N3O2/c1-11-12(2)19(10-17-11)14-7-5-13(6-8-14)18-16(20)15-4-3-9-21-15/h3-10H,1-2H3,(H,18,20)
InChIKeyWVBCDLLVXALVAQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.33
Rot. Bonds3

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

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 166215878) 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-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID166215878
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccco3)cc2)c1C
InChIInChI=1S/C16H15N3O2/c1-11-12(2)19(10-17-11)14-7-5-13(6-8-14)18-16(20)15-4-3-9-21-15/h3-10H,1-2H3,(H,18,20)
InChIKeyWVBCDLLVXALVAQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
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
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 166215739
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]-3-fluoropyridine-2-carboxamide
CID 166327066
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide
CID 166215914

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide (CID 166215878) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3ccco3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is WVBCDLLVXALVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-12(2)19(10-17-11)14-7-5-13(6-8-14)18-16(20)15-4-3-9-21-15/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-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-2-carboxamide is sourced from PubChem (CID 166215878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).