5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide

C15H12BrN3O2 — CID 167918709

IUPAC5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)c2ccc(Br)o2)[nH]1
InChIInChI=1S/C15H12BrN3O2/c1-9-8-17-14(18-9)10-4-2-3-5-11(10)19-15(20)12-6-7-13(16)21-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNJGDTFZZNVWWLK-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.99
Rot. Bonds3

About 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide

5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 167918709) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID167918709
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)c2ccc(Br)o2)[nH]1
InChIInChI=1S/C15H12BrN3O2/c1-9-8-17-14(18-9)10-4-2-3-5-11(10)19-15(20)12-6-7-13(16)21-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNJGDTFZZNVWWLK-UHFFFAOYSA-N
XLogP3.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2-thiazole-4-carboxamide
CID 166366294
4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 167790330
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide
CID 166186064
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
CID 17393458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide (CID 167918709) is 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide is Cc1cnc(-c2ccccc2NC(=O)c2ccc(Br)o2)[nH]1.
What is the InChIKey of 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is NJGDTFZZNVWWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-9-8-17-14(18-9)10-4-2-3-5-11(10)19-15(20)12-6-7-13(16)21-12/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 167918709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).