2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole

C12H18N2 — CID 142943254

IUPAC2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1C1=CCC(C)(C)C=C1
InChIInChI=1S/C12H18N2/c1-12(2)6-4-10(5-7-12)11-13-8-9-14(11)3/h4-6H,7-9H2,1-3H3
InChIKeyVYLCQTRYSQHWSM-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.24
Rot. Bonds1

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

2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole (PubChem CID 142943254) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole
PubChem CID142943254
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1C1=CCC(C)(C)C=C1
InChIInChI=1S/C12H18N2/c1-12(2)6-4-10(5-7-12)11-13-8-9-14(11)3/h4-6H,7-9H2,1-3H3
InChIKeyVYLCQTRYSQHWSM-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole (CID 142943254) is 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole is CN1CCN=C1C1=CCC(C)(C)C=C1.
What is the InChIKey of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole?
The InChIKey is VYLCQTRYSQHWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2)6-4-10(5-7-12)11-13-8-9-14(11)3/h4-6H,7-9H2,1-3H3.
What are the key properties of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole?
2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 142943254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).