3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole

C11H16N2 — CID 163632319

IUPAC3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole
SMILESCN1CNC2=C1C=CC(C)(C)C=C2
InChIInChI=1S/C11H16N2/c1-11(2)6-4-9-10(5-7-11)13(3)8-12-9/h4-7,12H,8H2,1-3H3
InChIKeyHXERPCVPYHZMKY-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.84
Rot. Bonds

About 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole

3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole (PubChem CID 163632319) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole
PubChem CID163632319
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole
SMILESCN1CNC2=C1C=CC(C)(C)C=C2
InChIInChI=1S/C11H16N2/c1-11(2)6-4-9-10(5-7-11)13(3)8-12-9/h4-7,12H,8H2,1-3H3
InChIKeyHXERPCVPYHZMKY-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole?
The IUPAC name of 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole (CID 163632319) is 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole is CN1CNC2=C1C=CC(C)(C)C=C2.
What is the InChIKey of 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole?
The InChIKey is HXERPCVPYHZMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2)6-4-9-10(5-7-11)13(3)8-12-9/h4-7,12H,8H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole?
3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole has a molecular weight of 176.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1,2-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 163632319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).