6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride

C15H22Cl2N4O — CID 172967762

IUPAC6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCNCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.Cl
InChIInChI=1S/C15H21ClN4O.ClH/c1-17-6-9-19-7-4-12(5-8-19)20-14-3-2-11(16)10-13(14)18-15(20)21;/h2-3,10,12,17H,4-9H2,1H3,(H,18,21);1H
InChIKeyVIIJPEMRMZCSHV-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.26
Rot. Bonds4

About 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride

6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (PubChem CID 172967762) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
PubChem CID172967762
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCNCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.Cl
InChIInChI=1S/C15H21ClN4O.ClH/c1-17-6-9-19-7-4-12(5-8-19)20-14-3-2-11(16)10-13(14)18-15(20)21;/h2-3,10,12,17H,4-9H2,1H3,(H,18,21);1H
InChIKeyVIIJPEMRMZCSHV-UHFFFAOYSA-N
XLogP2.26
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (CID 172967762) is 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is CNCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.Cl.
What is the InChIKey of 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is VIIJPEMRMZCSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O.ClH/c1-17-6-9-19-7-4-12(5-8-19)20-14-3-2-11(16)10-13(14)18-15(20)21;/h2-3,10,12,17H,4-9H2,1H3,(H,18,21);1H.
What are the key properties of 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 172967762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).