3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide

C15H19BrN4O — CID 119128447

IUPAC3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C15H19BrN4O/c1-20(2)15(21)6-7-17-10-14-18-9-13(19-14)11-4-3-5-12(16)8-11/h3-5,8-9,17H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyJHLVCZZNUWXDAS-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.41
Rot. Bonds6

About 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide

3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide (PubChem CID 119128447) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide
PubChem CID119128447
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C15H19BrN4O/c1-20(2)15(21)6-7-17-10-14-18-9-13(19-14)11-4-3-5-12(16)8-11/h3-5,8-9,17H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyJHLVCZZNUWXDAS-UHFFFAOYSA-N
XLogP2.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide (CID 119128447) is 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1ncc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide?
The InChIKey is JHLVCZZNUWXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-20(2)15(21)6-7-17-10-14-18-9-13(19-14)11-4-3-5-12(16)8-11/h3-5,8-9,17H,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide?
3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide has a molecular weight of 351.25 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 119128447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).