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

C16H23N3O2 — CID 117208814

IUPAC4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(C3CCCCN3C(C)C)c12
InChIInChI=1S/C16H23N3O2/c1-11(2)18-10-5-4-9-14(18)19-15-12(17-16(19)20)7-6-8-13(15)21-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyOYMBUAGYIZUPCU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.73
Rot. Bonds3

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

4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one (PubChem CID 117208814) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one
PubChem CID117208814
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(C3CCCCN3C(C)C)c12
InChIInChI=1S/C16H23N3O2/c1-11(2)18-10-5-4-9-14(18)19-15-12(17-16(19)20)7-6-8-13(15)21-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyOYMBUAGYIZUPCU-UHFFFAOYSA-N
XLogP2.73
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206382
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206342
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261068
4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117208672
3-(2-chlorophenyl)-4-methoxy-1H-benzimidazol-2-one
CID 117209227
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500769
(2R)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500768
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one (CID 117208814) is 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one is COc1cccc2[nH]c(=O)n(C3CCCCN3C(C)C)c12.
What is the InChIKey of 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one?
The InChIKey is OYMBUAGYIZUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)18-10-5-4-9-14(18)19-15-12(17-16(19)20)7-6-8-13(15)21-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,20).
What are the key properties of 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one?
4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).