N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide

C9H15N3O — CID 23555782

IUPACN-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide
SMILESCc1nc(CN(C)C=O)n(C)c1C
InChIInChI=1S/C9H15N3O/c1-7-8(2)12(4)9(10-7)5-11(3)6-13/h6H,5H2,1-4H3
InChIKeyJANLAXIMTZAHMV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.63
Rot. Bonds3

About N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide

N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide (PubChem CID 23555782) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide
PubChem CID23555782
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide
SMILESCc1nc(CN(C)C=O)n(C)c1C
InChIInChI=1S/C9H15N3O/c1-7-8(2)12(4)9(10-7)5-11(3)6-13/h6H,5H2,1-4H3
InChIKeyJANLAXIMTZAHMV-UHFFFAOYSA-N
XLogP0.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formic acid;N-methyl-3-pyrrolidin-1-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]butan-1-amine
CID 154914640
N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine
CID 46784303
2-(1,4,5-trimethylimidazol-2-yl)ethanethiol
CID 154656315
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 131895933
N-ethyl-1,1-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]thiolan-3-amine
CID 131909781
N-[(1,4,5-trimethylimidazol-2-yl)methyl]prop-2-en-1-imine
CID 139297464
2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole
CID 144691458
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
CID 64992231
4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
CID 58395091
(3S)-1,3-dimethyl-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-2-one
CID 164635519
1-(1,4,5-trimethylimidazol-2-yl)ethanamine
CID 82463368
2-(oxan-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
CID 46784293

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide?
The IUPAC name of N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide (CID 23555782) is N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide.
What is the SMILES notation for N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide?
The canonical SMILES for N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide is Cc1nc(CN(C)C=O)n(C)c1C.
What is the InChIKey of N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide?
The InChIKey is JANLAXIMTZAHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-8(2)12(4)9(10-7)5-11(3)6-13/h6H,5H2,1-4H3.
What are the key properties of N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide?
N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide has a molecular weight of 181.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]formamide is sourced from PubChem (CID 23555782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).