5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide

C16H14BrN3O2 — CID 40713205

IUPAC5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11(19-16(21)14-6-7-15(17)22-14)12-2-4-13(5-3-12)20-9-8-18-10-20/h2-11H,1H3,(H,19,21)/t11-/m0/s1
InChIKeyUGRWJXPOPPJYSA-NSHDSACASA-N
MW360.21 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 40713205) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID40713205
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11(19-16(21)14-6-7-15(17)22-14)12-2-4-13(5-3-12)20-9-8-18-10-20/h2-11H,1H3,(H,19,21)/t11-/m0/s1
InChIKeyUGRWJXPOPPJYSA-NSHDSACASA-N
XLogP3.72
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
CID 31409773
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42093175
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide (CID 40713205) is 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is UGRWJXPOPPJYSA-NSHDSACASA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-11(19-16(21)14-6-7-15(17)22-14)12-2-4-13(5-3-12)20-9-8-18-10-20/h2-11H,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 40713205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).