2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone

C8H13N3O — CID 79078425

IUPAC2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
SMILESCN(C)CC(=O)c1nccn1C
InChIInChI=1S/C8H13N3O/c1-10(2)6-7(12)8-9-4-5-11(8)3/h4-5H,6H2,1-3H3
InChIKeyLLQMDDOJQHIPGZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.16
Rot. Bonds3

About 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone

2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 79078425) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
PubChem CID79078425
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
SMILESCN(C)CC(=O)c1nccn1C
InChIInChI=1S/C8H13N3O/c1-10(2)6-7(12)8-9-4-5-11(8)3/h4-5H,6H2,1-3H3
InChIKeyLLQMDDOJQHIPGZ-UHFFFAOYSA-N
XLogP0.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-1-(1-methylimidazol-2-yl)propan-1-one
CID 115345823
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133
1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione
CID 122546761
2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
CID 116599367
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 82468293
1-(1-methylimidazol-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589352
5-amino-1-(1-methylimidazol-2-yl)hexan-1-one
CID 116610020
2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone
CID 63977072
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone (CID 79078425) is 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone is CN(C)CC(=O)c1nccn1C.
What is the InChIKey of 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is LLQMDDOJQHIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10(2)6-7(12)8-9-4-5-11(8)3/h4-5H,6H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone?
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 79078425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).