5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide

C18H18BrN3O2 — CID 47059171

IUPAC5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C18H18BrN3O2/c1-12(2)17-20-8-9-22(17)11-13-4-3-5-14(10-13)21-18(23)15-6-7-16(19)24-15/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyGUMWVNRDIHAEFY-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.66
Rot. Bonds5

About 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide (PubChem CID 47059171) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
PubChem CID47059171
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C18H18BrN3O2/c1-12(2)17-20-8-9-22(17)11-13-4-3-5-14(10-13)21-18(23)15-6-7-16(19)24-15/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyGUMWVNRDIHAEFY-UHFFFAOYSA-N
XLogP4.66
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide (CID 47059171) is 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide is CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
The InChIKey is GUMWVNRDIHAEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-12(2)17-20-8-9-22(17)11-13-4-3-5-14(10-13)21-18(23)15-6-7-16(19)24-15/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 47059171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).