N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide

C8H16N3O+ — CID 18684781

IUPACN-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide
SMILESCC(=O)NC[N+]1(C)CCN=C1C
InChIInChI=1S/C8H15N3O/c1-7-9-4-5-11(7,3)6-10-8(2)12/h4-6H2,1-3H3/p+1
InChIKeyXOYLWIAHDORZKJ-UHFFFAOYSA-O
MW170.24 g/mol
LogP-0.04
Rot. Bonds2

About N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide

N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide (PubChem CID 18684781) has the molecular formula C8H16N3O+ and a molecular weight of 170.24 g/mol. Its IUPAC name is N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide
PubChem CID18684781
Molecular FormulaC8H16N3O+
Molecular Weight170.24 g/mol
Exact Mass170.13
IUPAC NameN-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide
SMILESCC(=O)NC[N+]1(C)CCN=C1C
InChIInChI=1S/C8H15N3O/c1-7-9-4-5-11(7,3)6-10-8(2)12/h4-6H2,1-3H3/p+1
InChIKeyXOYLWIAHDORZKJ-UHFFFAOYSA-O
XLogP-0.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide?
The IUPAC name of N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide (CID 18684781) is N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide?
The canonical SMILES for N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide is CC(=O)NC[N+]1(C)CCN=C1C.
What is the InChIKey of N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide?
The InChIKey is XOYLWIAHDORZKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N3O/c1-7-9-4-5-11(7,3)6-10-8(2)12/h4-6H2,1-3H3/p+1.
What are the key properties of N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide?
N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide has a molecular weight of 170.24 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methyl]acetamide is sourced from PubChem (CID 18684781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).