7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride

C13H17ClFN3O — CID 68624025

IUPAC7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCc1cc(F)c2[nH]c(=O)n(C3CCNCC3)c2c1.Cl
InChIInChI=1S/C13H16FN3O.ClH/c1-8-6-10(14)12-11(7-8)17(13(18)16-12)9-2-4-15-5-3-9;/h6-7,9,15H,2-5H2,1H3,(H,16,18);1H
InChIKeyKWBOEFVUJIZJDY-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.12
Rot. Bonds1

About 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride

7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 68624025) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
PubChem CID68624025
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCc1cc(F)c2[nH]c(=O)n(C3CCNCC3)c2c1.Cl
InChIInChI=1S/C13H16FN3O.ClH/c1-8-6-10(14)12-11(7-8)17(13(18)16-12)9-2-4-15-5-3-9;/h6-7,9,15H,2-5H2,1H3,(H,16,18);1H
InChIKeyKWBOEFVUJIZJDY-UHFFFAOYSA-N
XLogP2.12
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624326
5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68625545
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride
CID 118209242
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 123226365
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 174989220
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 82146059
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (CID 68624025) is 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is Cc1cc(F)c2[nH]c(=O)n(C3CCNCC3)c2c1.Cl.
What is the InChIKey of 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is KWBOEFVUJIZJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O.ClH/c1-8-6-10(14)12-11(7-8)17(13(18)16-12)9-2-4-15-5-3-9;/h6-7,9,15H,2-5H2,1H3,(H,16,18);1H.
What are the key properties of 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 285.75 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 68624025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).