N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide

C14H9BrFN3O — CID 107602612

IUPACN-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9BrFN3O/c15-9-2-1-3-10(16)13(9)19-14(20)8-4-5-11-12(6-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyCKAZRLRIFUATAQ-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.72
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide

N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 107602612) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID107602612
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC NameN-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1c(F)cccc1Br)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9BrFN3O/c15-9-2-1-3-10(16)13(9)19-14(20)8-4-5-11-12(6-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyCKAZRLRIFUATAQ-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 43582883
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 107792772
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide (CID 107602612) is N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1c(F)cccc1Br)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is CKAZRLRIFUATAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-9-2-1-3-10(16)13(9)19-14(20)8-4-5-11-12(6-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20).
What are the key properties of N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide?
N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 334.15 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 107602612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).