5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

C23H20BrN3O3 — CID 55853074

IUPAC5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C23H20BrN3O3/c24-19-4-6-20(7-5-19)29-15-21-8-9-22(30-21)23(28)26-13-17-2-1-3-18(12-17)14-27-11-10-25-16-27/h1-12,16H,13-15H2,(H,26,28)
InChIKeyIYQNQLQZLIUAMF-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.80
Rot. Bonds8

About 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 55853074) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID55853074
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C23H20BrN3O3/c24-19-4-6-20(7-5-19)29-15-21-8-9-22(30-21)23(28)26-13-17-2-1-3-18(12-17)14-27-11-10-25-16-27/h1-12,16H,13-15H2,(H,26,28)
InChIKeyIYQNQLQZLIUAMF-UHFFFAOYSA-N
XLogP4.80
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
5-[(4-bromophenoxy)methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-2-carboxamide
CID 154857551
5-[(4-bromophenoxy)methyl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-2-carboxamide
CID 55841052
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
5-[(4-bromophenoxy)methyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55776259
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2166338
5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 46400150
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
5-[(4-bromophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19398938

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (CID 55853074) is 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1cccc(Cn2ccnc2)c1)c1ccc(COc2ccc(Br)cc2)o1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is IYQNQLQZLIUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c24-19-4-6-20(7-5-19)29-15-21-8-9-22(30-21)23(28)26-13-17-2-1-3-18(12-17)14-27-11-10-25-16-27/h1-12,16H,13-15H2,(H,26,28).
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 466.34 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55853074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).