N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide

C10H20BrN3O — CID 67523534

IUPACN,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
SMILESCCN(CC)C(=O)CN1C=C[NH+](C)C1.[Br-]
InChIInChI=1S/C10H19N3O.BrH/c1-4-13(5-2)10(14)8-12-7-6-11(3)9-12;/h6-7H,4-5,8-9H2,1-3H3;1H
InChIKeyTWIUCFXIQFUOEP-UHFFFAOYSA-N
MW278.19 g/mol
LogP-3.88
Rot. Bonds4

About N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide

N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide (PubChem CID 67523534) has the molecular formula C10H20BrN3O and a molecular weight of 278.19 g/mol. Its IUPAC name is N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
PubChem CID67523534
Molecular FormulaC10H20BrN3O
Molecular Weight278.19 g/mol
Exact Mass277.08
IUPAC NameN,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
SMILESCCN(CC)C(=O)CN1C=C[NH+](C)C1.[Br-]
InChIInChI=1S/C10H19N3O.BrH/c1-4-13(5-2)10(14)8-12-7-6-11(3)9-12;/h6-7H,4-5,8-9H2,1-3H3;1H
InChIKeyTWIUCFXIQFUOEP-UHFFFAOYSA-N
XLogP-3.88
TPSA27.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 5-3.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624349
2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624583
2-(diethylamino)-N-[(3-methyl-2H-imidazol-1-yl)methyl]acetamide
CID 57165918
N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 67523463
N-butyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 69670276
N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide
CID 87622573
N,1,3-trimethyl-2H-imidazole-2-carboxamide
CID 138514062
N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
CID 170189941
N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
CID 173078377
N-butyl-2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
CID 173199786
N-methyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide
CID 11008331
CID 44131647
CID 44131647

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
The IUPAC name of N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide (CID 67523534) is N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide.
What is the SMILES notation for N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
The canonical SMILES for N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide is CCN(CC)C(=O)CN1C=C[NH+](C)C1.[Br-].
What is the InChIKey of N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
The InChIKey is TWIUCFXIQFUOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.BrH/c1-4-13(5-2)10(14)8-12-7-6-11(3)9-12;/h6-7H,4-5,8-9H2,1-3H3;1H.
What are the key properties of N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide has a molecular weight of 278.19 g/mol, XLogP of -3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide is sourced from PubChem (CID 67523534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).