1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde

C10H12N4O — CID 62223868

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
SMILESCc1nccn1CCn1ccnc1C=O
InChIInChI=1S/C10H12N4O/c1-9-11-2-4-13(9)6-7-14-5-3-12-10(14)8-15/h2-5,8H,6-7H2,1H3
InChIKeyFZFSVPYPVFHSPZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde

1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde (PubChem CID 62223868) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
PubChem CID62223868
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
SMILESCc1nccn1CCn1ccnc1C=O
InChIInChI=1S/C10H12N4O/c1-9-11-2-4-13(9)6-7-14-5-3-12-10(14)8-15/h2-5,8H,6-7H2,1H3
InChIKeyFZFSVPYPVFHSPZ-UHFFFAOYSA-N
XLogP0.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)imidazole-2-carbaldehyde
CID 55267738
1-(2-hydroxypropyl)imidazole-2-carbaldehyde
CID 55267444
methyl 4-(2-formylimidazol-1-yl)butanoate
CID 62223157
1-(5-hydroxypentyl)imidazole-2-carbaldehyde
CID 62229411
1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde
CID 23079305
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
CID 62221205

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde (CID 62223868) is 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde is Cc1nccn1CCn1ccnc1C=O.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde?
The InChIKey is FZFSVPYPVFHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-9-11-2-4-13(9)6-7-14-5-3-12-10(14)8-15/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde?
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 62223868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).