cyclohepta[d]imidazol-2-amine

C8H7N3 — CID 5243925

IUPACcyclohepta[d]imidazol-2-amine
SMILESNc1nc2cccccc-2n1
InChIInChI=1S/C8H7N3/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H,(H2,9,10,11)
InChIKeyXZMXYKSOWURFMX-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.16
Rot. Bonds

About cyclohepta[d]imidazol-2-amine

cyclohepta[d]imidazol-2-amine (PubChem CID 5243925) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is cyclohepta[d]imidazol-2-amine.

Molecular Properties

Compound Namecyclohepta[d]imidazol-2-amine
PubChem CID5243925
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namecyclohepta[d]imidazol-2-amine
SMILESNc1nc2cccccc-2n1
InChIInChI=1S/C8H7N3/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H,(H2,9,10,11)
InChIKeyXZMXYKSOWURFMX-UHFFFAOYSA-N
XLogP1.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohepta[d]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohepta[d]imidazol-2-amine?
The IUPAC name of cyclohepta[d]imidazol-2-amine (CID 5243925) is cyclohepta[d]imidazol-2-amine.
What is the SMILES notation for cyclohepta[d]imidazol-2-amine?
The canonical SMILES for cyclohepta[d]imidazol-2-amine is Nc1nc2cccccc-2n1.
What is the InChIKey of cyclohepta[d]imidazol-2-amine?
The InChIKey is XZMXYKSOWURFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H,(H2,9,10,11).
What are the key properties of cyclohepta[d]imidazol-2-amine?
cyclohepta[d]imidazol-2-amine has a molecular weight of 145.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[d]imidazol-2-amine is sourced from PubChem (CID 5243925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).