4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide

C15H18BrN3O3 — CID 51250642

IUPAC4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2)cc(OC)c1Br
InChIInChI=1S/C15H18BrN3O3/c1-21-12-8-11(9-13(22-2)14(12)16)15(20)18-4-3-6-19-7-5-17-10-19/h5,7-10H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyRQFHJGCNPRSVCG-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.48
Rot. Bonds7

About 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide

4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide (PubChem CID 51250642) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
PubChem CID51250642
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2)cc(OC)c1Br
InChIInChI=1S/C15H18BrN3O3/c1-21-12-8-11(9-13(22-2)14(12)16)15(20)18-4-3-6-19-7-5-17-10-19/h5,7-10H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyRQFHJGCNPRSVCG-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide (CID 51250642) is 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)NCCCn2ccnc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
The InChIKey is RQFHJGCNPRSVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-21-12-8-11(9-13(22-2)14(12)16)15(20)18-4-3-6-19-7-5-17-10-19/h5,7-10H,3-4,6H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide?
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide has a molecular weight of 368.23 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 51250642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).