7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide

C15H9BrClF2N3O2 — CID 146458738

IUPAC7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C15H9BrClF2N3O2/c16-11-5-8(6-12-13(11)21-7-20-12)14(23)22-9-1-3-10(4-2-9)24-15(17,18)19/h1-7H,(H,20,21)(H,22,23)
InChIKeySYNYQSRVQWILOF-UHFFFAOYSA-N
MW416.61 g/mol
LogP4.75
Rot. Bonds4

About 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 146458738) has the molecular formula C15H9BrClF2N3O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID146458738
Molecular FormulaC15H9BrClF2N3O2
Molecular Weight416.61 g/mol
Exact Mass414.95
IUPAC Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C15H9BrClF2N3O2/c16-11-5-8(6-12-13(11)21-7-20-12)14(23)22-9-1-3-10(4-2-9)24-15(17,18)19/h1-7H,(H,20,21)(H,22,23)
InChIKeySYNYQSRVQWILOF-UHFFFAOYSA-N
XLogP4.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 146458738) is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(Br)c2nc[nH]c2c1.
What is the InChIKey of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is SYNYQSRVQWILOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF2N3O2/c16-11-5-8(6-12-13(11)21-7-20-12)14(23)22-9-1-3-10(4-2-9)24-15(17,18)19/h1-7H,(H,20,21)(H,22,23).
What are the key properties of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146458738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).