N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide

C10H20BrN3O — CID 173199786

IUPACN-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
SMILESBr.CCCCNC(=O)CN1C=CN(C)C1
InChIInChI=1S/C10H19N3O.BrH/c1-3-4-5-11-10(14)8-13-7-6-12(2)9-13;/h6-7H,3-5,8-9H2,1-2H3,(H,11,14);1H
InChIKeyQWUJXTTWDNCRGW-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.16
Rot. Bonds5

About N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide

N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide (PubChem CID 173199786) has the molecular formula C10H20BrN3O and a molecular weight of 278.19 g/mol. Its IUPAC name is N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide.

Molecular Properties

Compound NameN-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
PubChem CID173199786
Molecular FormulaC10H20BrN3O
Molecular Weight278.19 g/mol
Exact Mass277.08
IUPAC NameN-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
SMILESBr.CCCCNC(=O)CN1C=CN(C)C1
InChIInChI=1S/C10H19N3O.BrH/c1-3-4-5-11-10(14)8-13-7-6-12(2)9-13;/h6-7H,3-5,8-9H2,1-2H3,(H,11,14);1H
InChIKeyQWUJXTTWDNCRGW-UHFFFAOYSA-N
XLogP1.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The IUPAC name of N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide (CID 173199786) is N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide.
What is the SMILES notation for N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The canonical SMILES for N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide is Br.CCCCNC(=O)CN1C=CN(C)C1.
What is the InChIKey of N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The InChIKey is QWUJXTTWDNCRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.BrH/c1-3-4-5-11-10(14)8-13-7-6-12(2)9-13;/h6-7H,3-5,8-9H2,1-2H3,(H,11,14);1H.
What are the key properties of N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide has a molecular weight of 278.19 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide is sourced from PubChem (CID 173199786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).