3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide

C12H11Br2N3O — CID 103907789

IUPAC3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
SMILESO=C(NCCn1ccnc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2N3O/c13-10-5-9(6-11(14)7-10)12(18)16-2-4-17-3-1-15-8-17/h1,3,5-8H,2,4H2,(H,16,18)
InChIKeySNMLDHHTAJRXCM-UHFFFAOYSA-N
MW373.05 g/mol
LogP2.84
Rot. Bonds4

About 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide

3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide (PubChem CID 103907789) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
PubChem CID103907789
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
SMILESO=C(NCCn1ccnc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2N3O/c13-10-5-9(6-11(14)7-10)12(18)16-2-4-17-3-1-15-8-17/h1,3,5-8H,2,4H2,(H,16,18)
InChIKeySNMLDHHTAJRXCM-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62176435
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
CID 47142380

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide (CID 103907789) is 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide is O=C(NCCn1ccnc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide?
The InChIKey is SNMLDHHTAJRXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c13-10-5-9(6-11(14)7-10)12(18)16-2-4-17-3-1-15-8-17/h1,3,5-8H,2,4H2,(H,16,18).
What are the key properties of 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide?
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide has a molecular weight of 373.05 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide is sourced from PubChem (CID 103907789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).