5-ethyl-5-methyl-1H-cyclohepta[d]imidazole

C11H14N2 — CID 166077226

IUPAC5-ethyl-5-methyl-1H-cyclohepta[d]imidazole
SMILESCCC1(C)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C11H14N2/c1-3-11(2)6-4-5-9-10(7-11)13-8-12-9/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyNHGXNIKWYYIOTN-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.96
Rot. Bonds1

About 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole

5-ethyl-5-methyl-1H-cyclohepta[d]imidazole (PubChem CID 166077226) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name5-ethyl-5-methyl-1H-cyclohepta[d]imidazole
PubChem CID166077226
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-ethyl-5-methyl-1H-cyclohepta[d]imidazole
SMILESCCC1(C)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C11H14N2/c1-3-11(2)6-4-5-9-10(7-11)13-8-12-9/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyNHGXNIKWYYIOTN-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole?
The IUPAC name of 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole (CID 166077226) is 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole.
What is the SMILES notation for 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole?
The canonical SMILES for 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole is CCC1(C)C=CC=c2[nH]cnc2=C1.
What is the InChIKey of 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole?
The InChIKey is NHGXNIKWYYIOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-11(2)6-4-5-9-10(7-11)13-8-12-9/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole?
5-ethyl-5-methyl-1H-cyclohepta[d]imidazole has a molecular weight of 174.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1H-cyclohepta[d]imidazole is sourced from PubChem (CID 166077226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).