4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide

C11H10BrN3O — CID 102851678

IUPAC4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(CBr)cc1
InChIInChI=1S/C11H10BrN3O/c12-7-8-1-3-9(4-2-8)10(16)15-11-13-5-6-14-11/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyKBYYGJOZZAMUPA-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.56
Rot. Bonds3

About 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide

4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide (PubChem CID 102851678) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide
PubChem CID102851678
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(CBr)cc1
InChIInChI=1S/C11H10BrN3O/c12-7-8-1-3-9(4-2-8)10(16)15-11-13-5-6-14-11/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyKBYYGJOZZAMUPA-UHFFFAOYSA-N
XLogP2.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
CID 55027633
4-butoxy-N-(1H-imidazol-2-yl)benzamide
CID 60968641
N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60968095
3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
3,4-difluoro-N-(1H-imidazol-2-yl)benzamide
CID 63565198
N-(1H-imidazol-2-yl)-6-methylpyridine-3-carboxamide
CID 60968795
N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 60968230
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937
5-bromo-N-(1H-imidazol-2-yl)pentanamide
CID 107910080
N-(1H-imidazol-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 60966951
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide (CID 102851678) is 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide is O=C(Nc1ncc[nH]1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is KBYYGJOZZAMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-7-8-1-3-9(4-2-8)10(16)15-11-13-5-6-14-11/h1-6H,7H2,(H2,13,14,15,16).
What are the key properties of 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide?
4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 280.12 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 102851678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).