3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide

C13H13Br2N3O — CID 107973143

IUPAC3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H13Br2N3O/c14-10-6-9(7-11(15)8-10)13(19)18-3-1-2-12-16-4-5-17-12/h4-8H,1-3H2,(H,16,17)(H,18,19)
InChIKeyXCXGLYSQRUQVCT-UHFFFAOYSA-N
MW387.08 g/mol
LogP3.30
Rot. Bonds5

About 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide

3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide (PubChem CID 107973143) has the molecular formula C13H13Br2N3O and a molecular weight of 387.08 g/mol. Its IUPAC name is 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
PubChem CID107973143
Molecular FormulaC13H13Br2N3O
Molecular Weight387.08 g/mol
Exact Mass384.94
IUPAC Name3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H13Br2N3O/c14-10-6-9(7-11(15)8-10)13(19)18-3-1-2-12-16-4-5-17-12/h4-8H,1-3H2,(H,16,17)(H,18,19)
InChIKeyXCXGLYSQRUQVCT-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
CID 135115730
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
N-[4-(1H-imidazol-2-yl)butyl]-4-methyl-3-methylsulfonylbenzamide
CID 138047388
5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107185960
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
CID 91763304
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide (CID 107973143) is 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide is O=C(NCCCc1ncc[nH]1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The InChIKey is XCXGLYSQRUQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O/c14-10-6-9(7-11(15)8-10)13(19)18-3-1-2-12-16-4-5-17-12/h4-8H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide has a molecular weight of 387.08 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 107973143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).