6-bromocyclohepta[d]imidazol-2-amine

C8H6BrN3 — CID 614064

IUPAC6-bromocyclohepta[d]imidazol-2-amine
SMILESNc1nc2ccc(Br)ccc-2n1
InChIInChI=1S/C8H6BrN3/c9-5-1-3-6-7(4-2-5)12-8(10)11-6/h1-4H,(H2,10,11,12)
InChIKeyWSCAMOBZKFDDGP-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.93
Rot. Bonds

About 6-bromocyclohepta[d]imidazol-2-amine

6-bromocyclohepta[d]imidazol-2-amine (PubChem CID 614064) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 6-bromocyclohepta[d]imidazol-2-amine.

Molecular Properties

Compound Name6-bromocyclohepta[d]imidazol-2-amine
PubChem CID614064
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name6-bromocyclohepta[d]imidazol-2-amine
SMILESNc1nc2ccc(Br)ccc-2n1
InChIInChI=1S/C8H6BrN3/c9-5-1-3-6-7(4-2-5)12-8(10)11-6/h1-4H,(H2,10,11,12)
InChIKeyWSCAMOBZKFDDGP-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromocyclohepta[d]imidazol-2-amine?
The IUPAC name of 6-bromocyclohepta[d]imidazol-2-amine (CID 614064) is 6-bromocyclohepta[d]imidazol-2-amine.
What is the SMILES notation for 6-bromocyclohepta[d]imidazol-2-amine?
The canonical SMILES for 6-bromocyclohepta[d]imidazol-2-amine is Nc1nc2ccc(Br)ccc-2n1.
What is the InChIKey of 6-bromocyclohepta[d]imidazol-2-amine?
The InChIKey is WSCAMOBZKFDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-5-1-3-6-7(4-2-5)12-8(10)11-6/h1-4H,(H2,10,11,12).
What are the key properties of 6-bromocyclohepta[d]imidazol-2-amine?
6-bromocyclohepta[d]imidazol-2-amine has a molecular weight of 224.06 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromocyclohepta[d]imidazol-2-amine is sourced from PubChem (CID 614064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).