2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide

C7H13N3O — CID 54336256

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1=NCCN1
InChIInChI=1S/C7H13N3O/c1-10(2)7(11)5-6-8-3-4-9-6/h3-5H2,1-2H3,(H,8,9)
InChIKeyTVRRYULKMJSEDF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.53
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide

2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide (PubChem CID 54336256) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide
PubChem CID54336256
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1=NCCN1
InChIInChI=1S/C7H13N3O/c1-10(2)7(11)5-6-8-3-4-9-6/h3-5H2,1-2H3,(H,8,9)
InChIKeyTVRRYULKMJSEDF-UHFFFAOYSA-N
XLogP-0.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Diethylamino-2,3,6,7-tetrahydro-1h-1,4-diazepin-7-one
CID 14225749
2-(2-Aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 10290843
3-(Ethylamino)-3-ethyliminopropanamide
CID 22056443
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)acetamide
CID 22056455
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]acetamide
CID 22750372
N-[1-(1-methyl-4,5-dihydroimidazol-2-yl)ethyl]acetamide
CID 53718784
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]propanamide
CID 53916049
2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)
CID 59279704
2-Methyl-4-(methylaminomethyl)-1,4-dihydroimidazol-5-one
CID 59279705
N-(2-aminoethyl)-2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-2-methylpropanamide
CID 59766508
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide
CID 59846977
2-(4,5-dihydro-1H-imidazol-2-yl)propanamide
CID 69194733

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide (CID 54336256) is 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide?
The InChIKey is TVRRYULKMJSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10(2)7(11)5-6-8-3-4-9-6/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide?
2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide has a molecular weight of 155.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 54336256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).