5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole

C14H20N2 — CID 170255072

IUPAC5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole
SMILESCC(C)(C)Cc1ncc(C2=CC=CCC2)[nH]1
InChIInChI=1S/C14H20N2/c1-14(2,3)9-13-15-10-12(16-13)11-7-5-4-6-8-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyAUNRDANTRWKGBR-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.73
Rot. Bonds2

About 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole

5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole (PubChem CID 170255072) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole
PubChem CID170255072
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole
SMILESCC(C)(C)Cc1ncc(C2=CC=CCC2)[nH]1
InChIInChI=1S/C14H20N2/c1-14(2,3)9-13-15-10-12(16-13)11-7-5-4-6-8-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyAUNRDANTRWKGBR-UHFFFAOYSA-N
XLogP3.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole (CID 170255072) is 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole is CC(C)(C)Cc1ncc(C2=CC=CCC2)[nH]1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole?
The InChIKey is AUNRDANTRWKGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-14(2,3)9-13-15-10-12(16-13)11-7-5-4-6-8-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,16).
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole?
5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole has a molecular weight of 216.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole is sourced from PubChem (CID 170255072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).