5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one

C15H21N3O2 — CID 117207805

IUPAC5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCC(C)N1CCC(n2c(=O)[nH]c3ccc(O)cc32)CC1
InChIInChI=1S/C15H21N3O2/c1-10(2)17-7-5-11(6-8-17)18-14-9-12(19)3-4-13(14)16-15(18)20/h3-4,9-11,19H,5-8H2,1-2H3,(H,16,20)
InChIKeyKNQLNWJMEJXNRG-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds2

About 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one

5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one (PubChem CID 117207805) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
PubChem CID117207805
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCC(C)N1CCC(n2c(=O)[nH]c3ccc(O)cc32)CC1
InChIInChI=1S/C15H21N3O2/c1-10(2)17-7-5-11(6-8-17)18-14-9-12(19)3-4-13(14)16-15(18)20/h3-4,9-11,19H,5-8H2,1-2H3,(H,16,20)
InChIKeyKNQLNWJMEJXNRG-UHFFFAOYSA-N
XLogP2.08
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide
CID 58885028
6-nitro-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 58884993
3-(1,1-dioxothiolan-3-yl)-5-hydroxy-1H-benzimidazol-2-one
CID 117207764
5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
CID 117207966
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
3-[1-[1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12915841
5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one
CID 117208004
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
CID 145484811
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117207858

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one (CID 117207805) is 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one is CC(C)N1CCC(n2c(=O)[nH]c3ccc(O)cc32)CC1.
What is the InChIKey of 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one?
The InChIKey is KNQLNWJMEJXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)17-7-5-11(6-8-17)18-14-9-12(19)3-4-13(14)16-15(18)20/h3-4,9-11,19H,5-8H2,1-2H3,(H,16,20).
What are the key properties of 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one?
5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117207805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).