4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine

C10H9Br4N3 — CID 11352337

IUPAC4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine
SMILESCN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C
InChIInChI=1S/C10H9Br4N3/c1-16(2)10-15-8-6(13)4(11)5(12)7(14)9(8)17(10)3/h1-3H3
InChIKeyWFQHVWNFYYLZHM-UHFFFAOYSA-N
MW490.82 g/mol
LogP4.69
Rot. Bonds1

About 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine

4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine (PubChem CID 11352337) has the molecular formula C10H9Br4N3 and a molecular weight of 490.82 g/mol. Its IUPAC name is 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine.

Molecular Properties

Compound Name4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine
PubChem CID11352337
Molecular FormulaC10H9Br4N3
Molecular Weight490.82 g/mol
Exact Mass486.75
IUPAC Name4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine
SMILESCN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C
InChIInChI=1S/C10H9Br4N3/c1-16(2)10-15-8-6(13)4(11)5(12)7(14)9(8)17(10)3/h1-3H3
InChIKeyWFQHVWNFYYLZHM-UHFFFAOYSA-N
XLogP4.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-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 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine?
The IUPAC name of 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine (CID 11352337) is 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine.
What is the SMILES notation for 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine?
The canonical SMILES for 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine is CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C.
What is the InChIKey of 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine?
The InChIKey is WFQHVWNFYYLZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br4N3/c1-16(2)10-15-8-6(13)4(11)5(12)7(14)9(8)17(10)3/h1-3H3.
What are the key properties of 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine?
4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine has a molecular weight of 490.82 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrabromo-N,N,1-trimethylbenzimidazol-2-amine is sourced from PubChem (CID 11352337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).