5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide

C14H10BrN3O2 — CID 31409773

IUPAC5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O2/c15-13-6-5-12(20-13)14(19)17-10-1-3-11(4-2-10)18-8-7-16-9-18/h1-9H,(H,17,19)
InChIKeyAZPGISACLGJONG-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.48
Rot. Bonds3

About 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide

5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide (PubChem CID 31409773) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
PubChem CID31409773
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O2/c15-13-6-5-12(20-13)14(19)17-10-1-3-11(4-2-10)18-8-7-16-9-18/h1-9H,(H,17,19)
InChIKeyAZPGISACLGJONG-UHFFFAOYSA-N
XLogP3.48
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 40713205
5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313019
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39035583
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 31410270
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
CID 71792254
5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 29127725

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide (CID 31409773) is 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide is O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide?
The InChIKey is AZPGISACLGJONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-13-6-5-12(20-13)14(19)17-10-1-3-11(4-2-10)18-8-7-16-9-18/h1-9H,(H,17,19).
What are the key properties of 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide?
5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 31409773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).