1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole

C11H14N2 — CID 57065031

IUPAC1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole
SMILESCC1=C(n2ccnc2)C=CC(C)C1
InChIInChI=1S/C11H14N2/c1-9-3-4-11(10(2)7-9)13-6-5-12-8-13/h3-6,8-9H,7H2,1-2H3
InChIKeySBMVXACJNOVMCE-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.71
Rot. Bonds1

About 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole

1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole (PubChem CID 57065031) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole
PubChem CID57065031
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole
SMILESCC1=C(n2ccnc2)C=CC(C)C1
InChIInChI=1S/C11H14N2/c1-9-3-4-11(10(2)7-9)13-6-5-12-8-13/h3-6,8-9H,7H2,1-2H3
InChIKeySBMVXACJNOVMCE-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20148469
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4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
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1-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]imidazol-1-ium bromide
CID 44429842
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
2-[(Z)-(2-ethylcyclopentylidene)methyl]-1-methylimidazole
CID 10987073
N-geranylimidazol
CID 13309275
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
CID 164642173
1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
1-Fluoro-3-(4-imidazol-1-ylcyclohexa-1,5-dien-1-yl)pentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole?
The IUPAC name of 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole (CID 57065031) is 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole.
What is the SMILES notation for 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole?
The canonical SMILES for 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole is CC1=C(n2ccnc2)C=CC(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole?
The InChIKey is SBMVXACJNOVMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-3-4-11(10(2)7-9)13-6-5-12-8-13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole?
1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole has a molecular weight of 174.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexa-1,5-dien-1-yl)imidazole is sourced from PubChem (CID 57065031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).