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3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one

C17H25N5O — CID 171475046

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCCNC2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C17H25N5O/c1-20-16-14(21-10-8-18-9-11-21)5-2-6-15(16)22(17(20)23)13-4-3-7-19-12-13/h2,5-6,13,18-19H,3-4,7-12H2,1H3
InChIKeyNCAFUXJWELIXLE-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.67
Rot. Bonds2

About 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one

3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one (PubChem CID 171475046) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
PubChem CID171475046
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCCNC2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C17H25N5O/c1-20-16-14(21-10-8-18-9-11-21)5-2-6-15(16)22(17(20)23)13-4-3-7-19-12-13/h2,5-6,13,18-19H,3-4,7-12H2,1H3
InChIKeyNCAFUXJWELIXLE-UHFFFAOYSA-N
XLogP0.67
TPSA54.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
The IUPAC name of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one (CID 171475046) is 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one.
What is the SMILES notation for 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
The canonical SMILES for 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one is Cn1c(=O)n(C2CCCNC2)c2cccc(N3CCNCC3)c21.
What is the InChIKey of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
The InChIKey is NCAFUXJWELIXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-20-16-14(21-10-8-18-9-11-21)5-2-6-15(16)22(17(20)23)13-4-3-7-19-12-13/h2,5-6,13,18-19H,3-4,7-12H2,1H3.
What are the key properties of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one has a molecular weight of 315.42 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 171475046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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