2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile

C9H4BrF2N3 — CID 131296252

IUPAC2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc(C(F)F)c2nc(Br)[nH]c2c1
InChIInChI=1S/C9H4BrF2N3/c10-9-14-6-2-4(3-13)1-5(8(11)12)7(6)15-9/h1-2,8H,(H,14,15)
InChIKeyLPAQHAOFBBKMJE-UHFFFAOYSA-N
MW272.05 g/mol
LogP3.13
Rot. Bonds1

About 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile

2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 131296252) has the molecular formula C9H4BrF2N3 and a molecular weight of 272.05 g/mol. Its IUPAC name is 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile
PubChem CID131296252
Molecular FormulaC9H4BrF2N3
Molecular Weight272.05 g/mol
Exact Mass270.96
IUPAC Name2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc(C(F)F)c2nc(Br)[nH]c2c1
InChIInChI=1S/C9H4BrF2N3/c10-9-14-6-2-4(3-13)1-5(8(11)12)7(6)15-9/h1-2,8H,(H,14,15)
InChIKeyLPAQHAOFBBKMJE-UHFFFAOYSA-N
XLogP3.13
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
2,6-dibromo-1H-benzimidazole-4-carbonitrile
CID 131119039
4-(difluoromethyl)naphthalene-2-carbonitrile
CID 119015335
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131475908
2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole
CID 130781487
2,4,6-tribromo-1H-benzimidazole
CID 130864001
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
CID 130781560
6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile (CID 131296252) is 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile is N#Cc1cc(C(F)F)c2nc(Br)[nH]c2c1.
What is the InChIKey of 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is LPAQHAOFBBKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2N3/c10-9-14-6-2-4(3-13)1-5(8(11)12)7(6)15-9/h1-2,8H,(H,14,15).
What are the key properties of 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile?
2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 272.05 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 131296252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).