2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile

C14H7BrFN3 — CID 78908153

IUPAC2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cc(Br)ccc3F)[nH]c2c1
InChIInChI=1S/C14H7BrFN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19)
InChIKeyHSRUPBMPWSYFQA-UHFFFAOYSA-N
MW316.13 g/mol
LogP4.00
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile

2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 78908153) has the molecular formula C14H7BrFN3 and a molecular weight of 316.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID78908153
Molecular FormulaC14H7BrFN3
Molecular Weight316.13 g/mol
Exact Mass314.98
IUPAC Name2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cc(Br)ccc3F)[nH]c2c1
InChIInChI=1S/C14H7BrFN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19)
InChIKeyHSRUPBMPWSYFQA-UHFFFAOYSA-N
XLogP4.00
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile (CID 78908153) is 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cc(Br)ccc3F)[nH]c2c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is HSRUPBMPWSYFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile?
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 316.13 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 78908153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).