1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one

C9H15N3O — CID 138526725

IUPAC1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1ccnc1CN(C)C
InChIInChI=1S/C9H15N3O/c1-8(13)6-12-5-4-10-9(12)7-11(2)3/h4-5H,6-7H2,1-3H3
InChIKeyMRKDBBBXMHERKA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.53
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one

1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one (PubChem CID 138526725) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one
PubChem CID138526725
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1ccnc1CN(C)C
InChIInChI=1S/C9H15N3O/c1-8(13)6-12-5-4-10-9(12)7-11(2)3/h4-5H,6-7H2,1-3H3
InChIKeyMRKDBBBXMHERKA-UHFFFAOYSA-N
XLogP0.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560223
N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42819588
tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate
CID 59282735
2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide
CID 82558377
1-[1-(2-sulfanylethyl)imidazol-2-yl]ethanone
CID 143284273
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
CID 62737156
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
CID 131905578
ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
CID 166619240
5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
CID 79760691

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one (CID 138526725) is 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one is CC(=O)Cn1ccnc1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one?
The InChIKey is MRKDBBBXMHERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(13)6-12-5-4-10-9(12)7-11(2)3/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one?
1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one is sourced from PubChem (CID 138526725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).