4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide

C17H18BrN5O — CID 35323449

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C17H18BrN5O/c18-16-10-21-23(12-16)11-14-2-4-15(5-3-14)17(24)20-6-1-8-22-9-7-19-13-22/h2-5,7,9-10,12-13H,1,6,8,11H2,(H,20,24)
InChIKeyXLOGTMFOSRXYJH-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.71
Rot. Bonds7

About 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide

4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 35323449) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID35323449
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C17H18BrN5O/c18-16-10-21-23(12-16)11-14-2-4-15(5-3-14)17(24)20-6-1-8-22-9-7-19-13-22/h2-5,7,9-10,12-13H,1,6,8,11H2,(H,20,24)
InChIKeyXLOGTMFOSRXYJH-UHFFFAOYSA-N
XLogP2.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.71
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

N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421
4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 38103395
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide (CID 35323449) is 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is XLOGTMFOSRXYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c18-16-10-21-23(12-16)11-14-2-4-15(5-3-14)17(24)20-6-1-8-22-9-7-19-13-22/h2-5,7,9-10,12-13H,1,6,8,11H2,(H,20,24).
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 388.27 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 35323449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).