5,5-dimethyl-1H-cyclohepta[d]imidazole

C10H12N2 — CID 123139076

IUPAC5,5-dimethyl-1H-cyclohepta[d]imidazole
SMILESCC1(C)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C10H12N2/c1-10(2)5-3-4-8-9(6-10)12-7-11-8/h3-7H,1-2H3,(H,11,12)
InChIKeyHJKILOCOEPWBSP-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.57
Rot. Bonds

About 5,5-dimethyl-1H-cyclohepta[d]imidazole

5,5-dimethyl-1H-cyclohepta[d]imidazole (PubChem CID 123139076) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,5-dimethyl-1H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name5,5-dimethyl-1H-cyclohepta[d]imidazole
PubChem CID123139076
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,5-dimethyl-1H-cyclohepta[d]imidazole
SMILESCC1(C)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C10H12N2/c1-10(2)5-3-4-8-9(6-10)12-7-11-8/h3-7H,1-2H3,(H,11,12)
InChIKeyHJKILOCOEPWBSP-UHFFFAOYSA-N
XLogP0.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1H-cyclohepta[d]imidazole?
The IUPAC name of 5,5-dimethyl-1H-cyclohepta[d]imidazole (CID 123139076) is 5,5-dimethyl-1H-cyclohepta[d]imidazole.
What is the SMILES notation for 5,5-dimethyl-1H-cyclohepta[d]imidazole?
The canonical SMILES for 5,5-dimethyl-1H-cyclohepta[d]imidazole is CC1(C)C=CC=c2[nH]cnc2=C1.
What is the InChIKey of 5,5-dimethyl-1H-cyclohepta[d]imidazole?
The InChIKey is HJKILOCOEPWBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2)5-3-4-8-9(6-10)12-7-11-8/h3-7H,1-2H3,(H,11,12).
What are the key properties of 5,5-dimethyl-1H-cyclohepta[d]imidazole?
5,5-dimethyl-1H-cyclohepta[d]imidazole has a molecular weight of 160.22 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1H-cyclohepta[d]imidazole is sourced from PubChem (CID 123139076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).