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

C11H22BrN3O — CID 67523463

IUPACN-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
SMILESCCCCN(C)C(=O)CN1C=C[NH+](C)C1.[Br-]
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
LogP-3.49
Rot. Bonds5

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

N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide (PubChem CID 67523463) has the molecular formula C11H22BrN3O and a molecular weight of 292.22 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
PubChem CID67523463
Molecular FormulaC11H22BrN3O
Molecular Weight292.22 g/mol
Exact Mass291.09
IUPAC NameN-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
SMILESCCCCN(C)C(=O)CN1C=C[NH+](C)C1.[Br-]
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
XLogP-3.49
TPSA27.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 5-3.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 21079138
2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 21079140
2-(diethylamino)-N-[(3-methyl-2H-imidazol-1-yl)methyl]acetamide
CID 57165918
N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide
CID 67523464
N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 67523534
N-butyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 69670276
N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
CID 89269343
2-[[(Z)-2-[ethenyl(methyl)amino]ethenyl]amino]-1-pyrrolidin-1-ylethanone
CID 89812296
1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione
CID 122640360
2-[3-butyl-3-[2-(ethylamino)-2-oxoethyl]-2H-imidazol-3-ium-1-yl]-N-ethylacetamide tetrafluoroborate
CID 141096067
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
The IUPAC name of N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide (CID 67523463) is N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide.
What is the SMILES notation for N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
The canonical SMILES for N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide is CCCCN(C)C(=O)CN1C=C[NH+](C)C1.[Br-].
What is the InChIKey of N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
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-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide?
N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide has a molecular weight of 292.22 g/mol, XLogP of -3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide is sourced from PubChem (CID 67523463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).