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

C11H22BrN3O — CID 170189941

IUPACN-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
SMILESBr.CCCCN(C)C(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H21N3O.BrH/c1-4-5-6-13(3)11(15)9-14-8-7-12(2)10-14;/h7-8H,4-6,9-10H2,1-3H3;1H
InChIKeyUNTMWMTTWHVRJG-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.50
Rot. Bonds5

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

N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide (PubChem CID 170189941) has the molecular formula C11H22BrN3O and a molecular weight of 292.22 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
PubChem CID170189941
Molecular FormulaC11H22BrN3O
Molecular Weight292.22 g/mol
Exact Mass291.09
IUPAC NameN-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
SMILESBr.CCCCN(C)C(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H21N3O.BrH/c1-4-5-6-13(3)11(15)9-14-8-7-12(2)10-14;/h7-8H,4-6,9-10H2,1-3H3;1H
InChIKeyUNTMWMTTWHVRJG-UHFFFAOYSA-N
XLogP1.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The IUPAC name of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide (CID 170189941) is N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide.
What is the SMILES notation for N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The canonical SMILES for N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide is Br.CCCCN(C)C(=O)CN1C=CN(C)C1.
What is the InChIKey of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The InChIKey is UNTMWMTTWHVRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.BrH/c1-4-5-6-13(3)11(15)9-14-8-7-12(2)10-14;/h7-8H,4-6,9-10H2,1-3H3;1H.
What are the key properties of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide has a molecular weight of 292.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide is sourced from PubChem (CID 170189941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).