6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one

C15H20ClN3O3S — CID 172968606

IUPAC6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCC(C)S(=O)(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C15H20ClN3O3S/c1-10(2)23(21,22)18-7-5-12(6-8-18)19-14-4-3-11(16)9-13(14)17-15(19)20/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,20)
InChIKeyHKWJXQFVYGTZDG-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.36
Rot. Bonds3

About 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one

6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one (PubChem CID 172968606) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one
PubChem CID172968606
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCC(C)S(=O)(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C15H20ClN3O3S/c1-10(2)23(21,22)18-7-5-12(6-8-18)19-14-4-3-11(16)9-13(14)17-15(19)20/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,20)
InChIKeyHKWJXQFVYGTZDG-UHFFFAOYSA-N
XLogP2.36
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[1-(4-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968198
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967762
6-chloro-3-[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 137498444
6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471607
6-chloro-3-[1-(furan-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968093
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
6-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207162
6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968064
1,3-bis[3-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzimidazol-2-one
CID 71314715
N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 25105713

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one (CID 172968606) is 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one is CC(C)S(=O)(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.
What is the InChIKey of 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one?
The InChIKey is HKWJXQFVYGTZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S/c1-10(2)23(21,22)18-7-5-12(6-8-18)19-14-4-3-11(16)9-13(14)17-15(19)20/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,20).
What are the key properties of 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one?
6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one has a molecular weight of 357.86 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 172968606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).