N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide

C20H13BrFN3O — CID 46823373

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C20H13BrFN3O/c21-16-11-13(22)7-10-15(16)20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyILNXJCMPOGEPAC-UHFFFAOYSA-N
MW410.25 g/mol
LogP5.38
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide (PubChem CID 46823373) has the molecular formula C20H13BrFN3O and a molecular weight of 410.25 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
PubChem CID46823373
Molecular FormulaC20H13BrFN3O
Molecular Weight410.25 g/mol
Exact Mass409.02
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C20H13BrFN3O/c21-16-11-13(22)7-10-15(16)20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyILNXJCMPOGEPAC-UHFFFAOYSA-N
XLogP5.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.25
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
CID 166201051
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
2-bromo-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-4-fluorobenzamide
CID 16602781
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
CID 166207622
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008213
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-bromo-4-fluorobenzamide
CID 55430385
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39088716

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide (CID 46823373) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1Br.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide?
The InChIKey is ILNXJCMPOGEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN3O/c21-16-11-13(22)7-10-15(16)20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide has a molecular weight of 410.25 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide is sourced from PubChem (CID 46823373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).