2-bromo-N-(4-imidazol-1-ylbutyl)propanamide

C10H16BrN3O — CID 107905070

IUPAC2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
SMILESCC(Br)C(=O)NCCCCn1ccnc1
InChIInChI=1S/C10H16BrN3O/c1-9(11)10(15)13-4-2-3-6-14-7-5-12-8-14/h5,7-9H,2-4,6H2,1H3,(H,13,15)
InChIKeyHXAWVDPJWZINBF-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.56
Rot. Bonds6

About 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide

2-bromo-N-(4-imidazol-1-ylbutyl)propanamide (PubChem CID 107905070) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
PubChem CID107905070
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
SMILESCC(Br)C(=O)NCCCCn1ccnc1
InChIInChI=1S/C10H16BrN3O/c1-9(11)10(15)13-4-2-3-6-14-7-5-12-8-14/h5,7-9H,2-4,6H2,1H3,(H,13,15)
InChIKeyHXAWVDPJWZINBF-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
propan-2-yl N-(4-imidazol-1-ylbutyl)carbamate
CID 116655262
5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
CID 104684937
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide
CID 116677559
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
N-(4-imidazol-1-ylbutyl)but-2-enamide
CID 78968417
3-imidazol-1-ylpropylurea
CID 22179621
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
CID 43130667

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide?
The IUPAC name of 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide (CID 107905070) is 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide is CC(Br)C(=O)NCCCCn1ccnc1.
What is the InChIKey of 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide?
The InChIKey is HXAWVDPJWZINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-9(11)10(15)13-4-2-3-6-14-7-5-12-8-14/h5,7-9H,2-4,6H2,1H3,(H,13,15).
What are the key properties of 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide?
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide has a molecular weight of 274.16 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-imidazol-1-ylbutyl)propanamide is sourced from PubChem (CID 107905070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).