3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide

C15H10BrF2N3O — CID 146094132

IUPAC3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2ccc(NC(=O)c3cc(F)cc(Br)c3F)cc21
InChIInChI=1S/C15H10BrF2N3O/c1-21-7-19-12-3-2-9(6-13(12)21)20-15(22)10-4-8(17)5-11(16)14(10)18/h2-7H,1H3,(H,20,22)
InChIKeyJAJIIYQMTLMNRR-UHFFFAOYSA-N
MW366.17 g/mol
LogP3.87
Rot. Bonds2

About 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide

3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide (PubChem CID 146094132) has the molecular formula C15H10BrF2N3O and a molecular weight of 366.17 g/mol. Its IUPAC name is 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide
PubChem CID146094132
Molecular FormulaC15H10BrF2N3O
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC Name3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2ccc(NC(=O)c3cc(F)cc(Br)c3F)cc21
InChIInChI=1S/C15H10BrF2N3O/c1-21-7-19-12-3-2-9(6-13(12)21)20-15(22)10-4-8(17)5-11(16)14(10)18/h2-7H,1H3,(H,20,22)
InChIKeyJAJIIYQMTLMNRR-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide?
The IUPAC name of 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide (CID 146094132) is 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide is Cn1cnc2ccc(NC(=O)c3cc(F)cc(Br)c3F)cc21.
What is the InChIKey of 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide?
The InChIKey is JAJIIYQMTLMNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3O/c1-21-7-19-12-3-2-9(6-13(12)21)20-15(22)10-4-8(17)5-11(16)14(10)18/h2-7H,1H3,(H,20,22).
What are the key properties of 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide?
3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide has a molecular weight of 366.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 146094132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).