2-(dimethylamino)-3-methylimidazole-4-carbaldehyde

C7H11N3O — CID 21097280

IUPAC2-(dimethylamino)-3-methylimidazole-4-carbaldehyde
SMILESCN(C)c1ncc(C=O)n1C
InChIInChI=1S/C7H11N3O/c1-9(2)7-8-4-6(5-11)10(7)3/h4-5H,1-3H3
InChIKeyMKUFYSSAOGGRMX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.30
Rot. Bonds2

About 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde

2-(dimethylamino)-3-methylimidazole-4-carbaldehyde (PubChem CID 21097280) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylimidazole-4-carbaldehyde
PubChem CID21097280
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-(dimethylamino)-3-methylimidazole-4-carbaldehyde
SMILESCN(C)c1ncc(C=O)n1C
InChIInChI=1S/C7H11N3O/c1-9(2)7-8-4-6(5-11)10(7)3/h4-5H,1-3H3
InChIKeyMKUFYSSAOGGRMX-UHFFFAOYSA-N
XLogP0.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde (CID 21097280) is 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde is CN(C)c1ncc(C=O)n1C.
What is the InChIKey of 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde?
The InChIKey is MKUFYSSAOGGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9(2)7-8-4-6(5-11)10(7)3/h4-5H,1-3H3.
What are the key properties of 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde?
2-(dimethylamino)-3-methylimidazole-4-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylimidazole-4-carbaldehyde is sourced from PubChem (CID 21097280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).