5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one

C15H20ClN3O — CID 117208083

IUPAC5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one
SMILESCCN1CCCCC1Cn1c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C15H20ClN3O/c1-2-18-8-4-3-5-12(18)10-19-14-9-11(16)6-7-13(14)17-15(19)20/h6-7,9,12H,2-5,8,10H2,1H3,(H,17,20)
InChIKeyMWGIQDMLYRLRNK-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.86
Rot. Bonds3

About 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one

5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117208083) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117208083
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one
SMILESCCN1CCCCC1Cn1c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C15H20ClN3O/c1-2-18-8-4-3-5-12(18)10-19-14-9-11(16)6-7-13(14)17-15(19)20/h6-7,9,12H,2-5,8,10H2,1H3,(H,17,20)
InChIKeyMWGIQDMLYRLRNK-UHFFFAOYSA-N
XLogP2.86
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one
CID 117207356
5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117207957
6-chloro-3-(thiolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117207296
6-chloro-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3H-isoindol-1-one
CID 54305272
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
2-(6-chloro-2-oxo-3H-benzimidazol-1-yl)acetic acid
CID 10704472
6-chloro-4-(1-propylpyrrolidin-2-yl)-1H-quinoxaline-2,3-dione
CID 54194858
1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine
CID 45241671
5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 21424815
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208257

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one (CID 117208083) is 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one is CCN1CCCCC1Cn1c(=O)[nH]c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is MWGIQDMLYRLRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-2-18-8-4-3-5-12(18)10-19-14-9-11(16)6-7-13(14)17-15(19)20/h6-7,9,12H,2-5,8,10H2,1H3,(H,17,20).
What are the key properties of 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one?
5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 293.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).