6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane

C12H18N2 — CID 142263994

IUPAC6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane
SMILESCC.CC1(C)C=Cc2nc[nH]c2C=C1
InChIInChI=1S/C10H12N2.C2H6/c1-10(2)5-3-8-9(4-6-10)12-7-11-8;1-2/h3-7H,1-2H3,(H,11,12);1-2H3
InChIKeyKWNRYGCVGZSGFM-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.50
Rot. Bonds

About 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane

6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane (PubChem CID 142263994) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane.

Molecular Properties

Compound Name6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane
PubChem CID142263994
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane
SMILESCC.CC1(C)C=Cc2nc[nH]c2C=C1
InChIInChI=1S/C10H12N2.C2H6/c1-10(2)5-3-8-9(4-6-10)12-7-11-8;1-2/h3-7H,1-2H3,(H,11,12);1-2H3
InChIKeyKWNRYGCVGZSGFM-UHFFFAOYSA-N
XLogP3.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-6-methyl-1H-cyclohepta[d]imidazole
CID 143688936
1,6-dihydroimidazo[4,5-d]azepine
CID 68514643
6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine
CID 164553716
ethane;4,4,7-trimethylazepine
CID 145323887
2,7,7-trimethylcyclohepta[b]pyridine;yttrium
CID 145326449
7,7-dimethyl-4-oxo-1H-cyclohepta[b]pyridine-3-carbonitrile
CID 142249007
ethane;molecular hydrogen;5-propan-2-yl-3H-cyclohepta[d]imidazole
CID 176525049
6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
CID 142049970
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
6,6,14,14-tetramethyl-2-azatricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene
CID 145008572
6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
CID 155716963

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane?
The IUPAC name of 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane (CID 142263994) is 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane.
What is the SMILES notation for 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane?
The canonical SMILES for 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane is CC.CC1(C)C=Cc2nc[nH]c2C=C1.
What is the InChIKey of 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane?
The InChIKey is KWNRYGCVGZSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-10(2)5-3-8-9(4-6-10)12-7-11-8;1-2/h3-7H,1-2H3,(H,11,12);1-2H3.
What are the key properties of 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane?
6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane has a molecular weight of 190.29 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane is sourced from PubChem (CID 142263994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).