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

C12H14Cl2FN3O — CID 68624326

IUPAC5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2c(F)cc(Cl)cc2n1C1CCNCC1
InChIInChI=1S/C12H13ClFN3O.ClH/c13-7-5-9(14)11-10(6-7)17(12(18)16-11)8-1-3-15-4-2-8;/h5-6,8,15H,1-4H2,(H,16,18);1H
InChIKeyDASKXADFUYTWTK-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.47
Rot. Bonds1

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

5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 68624326) has the molecular formula C12H14Cl2FN3O and a molecular weight of 306.17 g/mol. Its IUPAC name is 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
PubChem CID68624326
Molecular FormulaC12H14Cl2FN3O
Molecular Weight306.17 g/mol
Exact Mass305.05
IUPAC Name5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2c(F)cc(Cl)cc2n1C1CCNCC1
InChIInChI=1S/C12H13ClFN3O.ClH/c13-7-5-9(14)11-10(6-7)17(12(18)16-11)8-1-3-15-4-2-8;/h5-6,8,15H,1-4H2,(H,16,18);1H
InChIKeyDASKXADFUYTWTK-UHFFFAOYSA-N
XLogP2.47
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (CID 68624326) is 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is Cl.O=c1[nH]c2c(F)cc(Cl)cc2n1C1CCNCC1.
What is the InChIKey of 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is DASKXADFUYTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O.ClH/c13-7-5-9(14)11-10(6-7)17(12(18)16-11)8-1-3-15-4-2-8;/h5-6,8,15H,1-4H2,(H,16,18);1H.
What are the key properties of 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 306.17 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 68624326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).