6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride

C13H14ClFN4O — CID 118209242

IUPAC6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2[nH]c(=O)n(C3CCNCC3)c2cc1F
InChIInChI=1S/C13H13FN4O.ClH/c14-10-6-12-11(5-8(10)7-15)17-13(19)18(12)9-1-3-16-4-2-9;/h5-6,9,16H,1-4H2,(H,17,19);1H
InChIKeyLUSUFQIAAJEKPW-UHFFFAOYSA-N
MW296.73 g/mol
LogP1.69
Rot. Bonds1

About 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride

6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride (PubChem CID 118209242) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride
PubChem CID118209242
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2[nH]c(=O)n(C3CCNCC3)c2cc1F
InChIInChI=1S/C13H13FN4O.ClH/c14-10-6-12-11(5-8(10)7-15)17-13(19)18(12)9-1-3-16-4-2-9;/h5-6,9,16H,1-4H2,(H,17,19);1H
InChIKeyLUSUFQIAAJEKPW-UHFFFAOYSA-N
XLogP1.69
TPSA73.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid
CID 172967774
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68625545
1-(1-methylpiperidin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
CID 168926229
6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 59850158
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624326
7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624025
5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one
CID 177301925

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride?
The IUPAC name of 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride (CID 118209242) is 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride.
What is the SMILES notation for 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride?
The canonical SMILES for 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride is Cl.N#Cc1cc2[nH]c(=O)n(C3CCNCC3)c2cc1F.
What is the InChIKey of 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride?
The InChIKey is LUSUFQIAAJEKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O.ClH/c14-10-6-12-11(5-8(10)7-15)17-13(19)18(12)9-1-3-16-4-2-9;/h5-6,9,16H,1-4H2,(H,17,19);1H.
What are the key properties of 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride?
6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride has a molecular weight of 296.73 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride is sourced from PubChem (CID 118209242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).