2,5,5-trimethyl-1H-cyclohepta[d]imidazole

C11H14N2 — CID 143038768

IUPAC2,5,5-trimethyl-1H-cyclohepta[d]imidazole
SMILESCc1nc2c([nH]1)=CC=CC(C)(C)C=2
InChIInChI=1S/C11H14N2/c1-8-12-9-5-4-6-11(2,3)7-10(9)13-8/h4-7H,1-3H3,(H,12,13)
InChIKeyXSQCRUOXYCBQRW-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.88
Rot. Bonds

About 2,5,5-trimethyl-1H-cyclohepta[d]imidazole

2,5,5-trimethyl-1H-cyclohepta[d]imidazole (PubChem CID 143038768) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,5,5-trimethyl-1H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name2,5,5-trimethyl-1H-cyclohepta[d]imidazole
PubChem CID143038768
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,5,5-trimethyl-1H-cyclohepta[d]imidazole
SMILESCc1nc2c([nH]1)=CC=CC(C)(C)C=2
InChIInChI=1S/C11H14N2/c1-8-12-9-5-4-6-11(2,3)7-10(9)13-8/h4-7H,1-3H3,(H,12,13)
InChIKeyXSQCRUOXYCBQRW-UHFFFAOYSA-N
XLogP0.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1H-cyclohepta[d]imidazole?
The IUPAC name of 2,5,5-trimethyl-1H-cyclohepta[d]imidazole (CID 143038768) is 2,5,5-trimethyl-1H-cyclohepta[d]imidazole.
What is the SMILES notation for 2,5,5-trimethyl-1H-cyclohepta[d]imidazole?
The canonical SMILES for 2,5,5-trimethyl-1H-cyclohepta[d]imidazole is Cc1nc2c([nH]1)=CC=CC(C)(C)C=2.
What is the InChIKey of 2,5,5-trimethyl-1H-cyclohepta[d]imidazole?
The InChIKey is XSQCRUOXYCBQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-12-9-5-4-6-11(2,3)7-10(9)13-8/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2,5,5-trimethyl-1H-cyclohepta[d]imidazole?
2,5,5-trimethyl-1H-cyclohepta[d]imidazole has a molecular weight of 174.25 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1H-cyclohepta[d]imidazole is sourced from PubChem (CID 143038768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).