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

C14H9BrFN3O — CID 43582883

IUPACN-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9BrFN3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyBTWZPTPMSILHKR-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.72
Rot. Bonds2

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

N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 43582883) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID43582883
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC NameN-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9BrFN3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyBTWZPTPMSILHKR-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-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 107602612
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 107792772
N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
CID 11617554
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-[5-(aminomethyl)-2-fluorophenyl]-2-(3H-benzimidazole-5-carbonyl)benzamide
CID 174589874
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide (CID 43582883) is N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1cc(Br)ccc1F)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is BTWZPTPMSILHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20).
What are the key properties of N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
N-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43582883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).