6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile

C9H5F2N3 — CID 130882495

IUPAC6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc[nH]c2cc1C(F)F
InChIInChI=1S/C9H5F2N3/c10-9(11)6-2-8-7(13-4-14-8)1-5(6)3-12/h1-2,4,9H,(H,13,14)
InChIKeyDNBSLCXGIMCVDY-UHFFFAOYSA-N
MW193.16 g/mol
LogP2.37
Rot. Bonds1

About 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile

6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile (PubChem CID 130882495) has the molecular formula C9H5F2N3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile
PubChem CID130882495
Molecular FormulaC9H5F2N3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc[nH]c2cc1C(F)F
InChIInChI=1S/C9H5F2N3/c10-9(11)6-2-8-7(13-4-14-8)1-5(6)3-12/h1-2,4,9H,(H,13,14)
InChIKeyDNBSLCXGIMCVDY-UHFFFAOYSA-N
XLogP2.37
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-benzimidazole-5,6-dicarbonitrile
CID 15406304
6-(difluoromethyl)-1H-benzimidazol-5-ol
CID 130882278
6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole
CID 22975284
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
CID 130777663
4-(difluoromethyl)-6-iodo-1H-benzimidazole
CID 130952734
5-chloro-2-(difluoromethyl)benzonitrile
CID 117280914
6-amino-1H-benzimidazol-5-ol
CID 82417589
2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile (CID 130882495) is 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile is N#Cc1cc2nc[nH]c2cc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile?
The InChIKey is DNBSLCXGIMCVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3/c10-9(11)6-2-8-7(13-4-14-8)1-5(6)3-12/h1-2,4,9H,(H,13,14).
What are the key properties of 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile?
6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile has a molecular weight of 193.16 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 130882495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).