2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole

C11H14N2 — CID 141490927

IUPAC2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESCC1C=CC=CC1(C)c1ncc[nH]1
InChIInChI=1S/C11H14N2/c1-9-5-3-4-6-11(9,2)10-12-7-8-13-10/h3-9H,1-2H3,(H,12,13)
InChIKeyNGJYYCMDOAHFFL-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.43
Rot. Bonds1

About 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole

2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole (PubChem CID 141490927) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole
PubChem CID141490927
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESCC1C=CC=CC1(C)c1ncc[nH]1
InChIInChI=1S/C11H14N2/c1-9-5-3-4-6-11(9,2)10-12-7-8-13-10/h3-9H,1-2H3,(H,12,13)
InChIKeyNGJYYCMDOAHFFL-UHFFFAOYSA-N
XLogP2.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Subsituted 1H-imidazole, 23
CID 57339816
2-Subsituted 1H-imidazole, 26
CID 57339817
2-Subsituted 1H-imidazole, 28
CID 57339818
2-(1-bicyclo[2.2.1]hept-2-enyl)-1H-imidazole
CID 70180362
4-Imidazolyl-1,4-dihydropyridine
CID 70410241
(1E,3Z)-5-fluoro-2-(1H-imidazol-2-yl)hexa-1,3,5-trien-1-amine
CID 129304225
N-[(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 142002415
(2E)-2-fluoro-1-(1H-imidazol-2-yl)-N-methylpenta-2,4-dien-1-imine
CID 142996659
2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole
CID 154426720
2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 175700121
(1H-imidazol-2-ylmethyl){[(4S)-4-isopropenylcyclohex-1-en-1-yl]methyl}methylamine
CID 50963651
(2,2-dimethylpent-4-en-1-yl)(1H-imidazol-2-ylmethyl)methylamine
CID 56714914

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole (CID 141490927) is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole.
What is the SMILES notation for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The canonical SMILES for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole is CC1C=CC=CC1(C)c1ncc[nH]1.
What is the InChIKey of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The InChIKey is NGJYYCMDOAHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-5-3-4-6-11(9,2)10-12-7-8-13-10/h3-9H,1-2H3,(H,12,13).
What are the key properties of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole has a molecular weight of 174.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole is sourced from PubChem (CID 141490927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).