cyclohepta[d]imidazole

C8H6N2 — CID 638009

IUPACcyclohepta[d]imidazole
SMILESc1ccc2ncnc-2cc1
InChIInChI=1S/C8H6N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6H
InChIKeyHPGSSIJHLUDJFV-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.58
Rot. Bonds

About cyclohepta[d]imidazole

cyclohepta[d]imidazole (PubChem CID 638009) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is cyclohepta[d]imidazole.

Molecular Properties

Compound Namecyclohepta[d]imidazole
PubChem CID638009
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namecyclohepta[d]imidazole
SMILESc1ccc2ncnc-2cc1
InChIInChI=1S/C8H6N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6H
InChIKeyHPGSSIJHLUDJFV-UHFFFAOYSA-N
XLogP1.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[d]imidazole?
The IUPAC name of cyclohepta[d]imidazole (CID 638009) is cyclohepta[d]imidazole.
What is the SMILES notation for cyclohepta[d]imidazole?
The canonical SMILES for cyclohepta[d]imidazole is c1ccc2ncnc-2cc1.
What is the InChIKey of cyclohepta[d]imidazole?
The InChIKey is HPGSSIJHLUDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6H.
What are the key properties of cyclohepta[d]imidazole?
cyclohepta[d]imidazole has a molecular weight of 130.15 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[d]imidazole is sourced from PubChem (CID 638009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).