N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide

C16H15N3O2 — CID 145196233

IUPACN-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccco3)c2)cn1C
InChIInChI=1S/C16H15N3O2/c1-11-17-14(10-19(11)2)12-5-3-6-13(9-12)18-16(20)15-7-4-8-21-15/h3-10H,1-2H3,(H,18,20)
InChIKeyJJQUGKGTIBOPCC-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.24
Rot. Bonds3

About N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide

N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 145196233) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID145196233
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccco3)c2)cn1C
InChIInChI=1S/C16H15N3O2/c1-11-17-14(10-19(11)2)12-5-3-6-13(9-12)18-16(20)15-7-4-8-21-15/h3-10H,1-2H3,(H,18,20)
InChIKeyJJQUGKGTIBOPCC-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]furan-2-carboxamide
CID 110732473
N-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 1480562
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
CID 7080334
N-[3-(1H-pyrazol-5-yl)phenyl]furan-2-carboxamide
CID 37044226
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54814790
N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55885300
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[3-(furan-2-carbonylamino)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 3755550
N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 1300314

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide (CID 145196233) is N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccco3)c2)cn1C.
What is the InChIKey of N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is JJQUGKGTIBOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-17-14(10-19(11)2)12-5-3-6-13(9-12)18-16(20)15-7-4-8-21-15/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide?
N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-dimethylimidazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 145196233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).