1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde

C11H12N2O — CID 142513429

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde
SMILESCC1(n2ccnc2C=O)C=CC=CC1
InChIInChI=1S/C11H12N2O/c1-11(5-3-2-4-6-11)13-8-7-12-10(13)9-14/h2-5,7-9H,6H2,1H3
InChIKeyKJQVTRPQJLDJRA-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.93
Rot. Bonds2

About 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde

1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde (PubChem CID 142513429) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde
PubChem CID142513429
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde
SMILESCC1(n2ccnc2C=O)C=CC=CC1
InChIInChI=1S/C11H12N2O/c1-11(5-3-2-4-6-11)13-8-7-12-10(13)9-14/h2-5,7-9H,6H2,1H3
InChIKeyKJQVTRPQJLDJRA-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.93
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

1-tert-butyl-1H-imidazole-2-carbaldehyde
CID 55252810
1-(4-Fluorobut-1-en-2-yl)imidazole-2-carbaldehyde
CID 156288073
1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde
CID 134966680
1-(2-Methylbutan-2-yl)imidazole-2-carbaldehyde
CID 55267121
1-(2-Methylprop-2-enyl)imidazole-2-carbaldehyde
CID 62222629
1-(Pent-4-en-1-yl)imidazole-2-carbaldehyde
CID 64315217
Cyclohexa-2,4-diene-1-carboxamide;1-methylimidazole-2-carbaldehyde
CID 87490692
1-(Penta-2,4-dien-1-yl) imidazole-2-carbaldehyde
CID 118025266
5-Methyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carbaldehyde
CID 137390680
N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine
CID 139612478
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylimidazole-2-carbaldehyde
CID 141260180
1-(1-Methylcyclohexa-2,4-dien-1-yl)imidazole
CID 142783454

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde (CID 142513429) is 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde is CC1(n2ccnc2C=O)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde?
The InChIKey is KJQVTRPQJLDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-11(5-3-2-4-6-11)13-8-7-12-10(13)9-14/h2-5,7-9H,6H2,1H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde?
1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde is sourced from PubChem (CID 142513429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).