2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride

C14H17Cl2N3O — CID 159456574

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCCCN1
InChIInChI=1S/C14H16ClN3O.ClH/c15-9-4-5-10-12(7-9)18-14(17-10)8-13(19)11-3-1-2-6-16-11;/h4-5,7,11,16H,1-3,6,8H2,(H,17,18);1H/t11-;/m0./s1
InChIKeySPMOECSYVHJHEG-MERQFXBCSA-N
MW314.22 g/mol
LogP2.89
Rot. Bonds3

About 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride

2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride (PubChem CID 159456574) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
PubChem CID159456574
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCCCN1
InChIInChI=1S/C14H16ClN3O.ClH/c15-9-4-5-10-12(7-9)18-14(17-10)8-13(19)11-3-1-2-6-16-11;/h4-5,7,11,16H,1-3,6,8H2,(H,17,18);1H/t11-;/m0./s1
InChIKeySPMOECSYVHJHEG-MERQFXBCSA-N
XLogP2.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride (CID 159456574) is 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride is Cl.O=C(Cc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCCCN1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The InChIKey is SPMOECSYVHJHEG-MERQFXBCSA-N. The full InChI is InChI=1S/C14H16ClN3O.ClH/c15-9-4-5-10-12(7-9)18-14(17-10)8-13(19)11-3-1-2-6-16-11;/h4-5,7,11,16H,1-3,6,8H2,(H,17,18);1H/t11-;/m0./s1.
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride has a molecular weight of 314.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 159456574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).