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

C15H19ClFN3O — CID 68625545

IUPAC5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2c(F)cc(C3CC3)cc2n1C1CCNCC1
InChIInChI=1S/C15H18FN3O.ClH/c16-12-7-10(9-1-2-9)8-13-14(12)18-15(20)19(13)11-3-5-17-6-4-11;/h7-9,11,17H,1-6H2,(H,18,20);1H
InChIKeyFYSPFNKQWVTUKI-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.69
Rot. Bonds2

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

5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 68625545) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
PubChem CID68625545
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2c(F)cc(C3CC3)cc2n1C1CCNCC1
InChIInChI=1S/C15H18FN3O.ClH/c16-12-7-10(9-1-2-9)8-13-14(12)18-15(20)19(13)11-3-5-17-6-4-11;/h7-9,11,17H,1-6H2,(H,18,20);1H
InChIKeyFYSPFNKQWVTUKI-UHFFFAOYSA-N
XLogP2.69
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.69
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
7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624025
4-(6-cyclopropyl-4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 123226365
3-cyclopropyl-5-piperidin-4-yl-1H-benzimidazol-2-one
CID 177302345
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
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
1-piperidin-4-yl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 172563900

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (CID 68625545) is 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is Cl.O=c1[nH]c2c(F)cc(C3CC3)cc2n1C1CCNCC1.
What is the InChIKey of 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is FYSPFNKQWVTUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O.ClH/c16-12-7-10(9-1-2-9)8-13-14(12)18-15(20)19(13)11-3-5-17-6-4-11;/h7-9,11,17H,1-6H2,(H,18,20);1H.
What are the key properties of 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 68625545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).