6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine

C14H10BrF2N3O — CID 65347071

IUPAC6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1ccccc1OC(F)F
InChIInChI=1S/C14H10BrF2N3O/c15-8-5-6-9-11(7-8)20(14(18)19-9)10-3-1-2-4-12(10)21-13(16)17/h1-7,13H,(H2,18,19)
InChIKeyCTDABNZCCUGVJT-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.97
Rot. Bonds3

About 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine

6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine (PubChem CID 65347071) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine
PubChem CID65347071
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1ccccc1OC(F)F
InChIInChI=1S/C14H10BrF2N3O/c15-8-5-6-9-11(7-8)20(14(18)19-9)10-3-1-2-4-12(10)21-13(16)17/h1-7,13H,(H2,18,19)
InChIKeyCTDABNZCCUGVJT-UHFFFAOYSA-N
XLogP3.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-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 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine (CID 65347071) is 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1-c1ccccc1OC(F)F.
What is the InChIKey of 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine?
The InChIKey is CTDABNZCCUGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c15-8-5-6-9-11(7-8)20(14(18)19-9)10-3-1-2-4-12(10)21-13(16)17/h1-7,13H,(H2,18,19).
What are the key properties of 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine?
6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine has a molecular weight of 354.15 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(difluoromethoxy)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 65347071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).