1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone

C19H26N4O2 — CID 134126837

IUPAC1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(C4CCOCC4)n(C)c3c2)CC1
InChIInChI=1S/C19H26N4O2/c1-14(24)22-7-9-23(10-8-22)16-3-4-17-18(13-16)21(2)19(20-17)15-5-11-25-12-6-15/h3-4,13,15H,5-12H2,1-2H3
InChIKeyOYWJGGZRTWRTHB-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.14
Rot. Bonds2

About 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone

1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone (PubChem CID 134126837) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone
PubChem CID134126837
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(C4CCOCC4)n(C)c3c2)CC1
InChIInChI=1S/C19H26N4O2/c1-14(24)22-7-9-23(10-8-22)16-3-4-17-18(13-16)21(2)19(20-17)15-5-11-25-12-6-15/h3-4,13,15H,5-12H2,1-2H3
InChIKeyOYWJGGZRTWRTHB-UHFFFAOYSA-N
XLogP2.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone (CID 134126837) is 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3nc(C4CCOCC4)n(C)c3c2)CC1.
What is the InChIKey of 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone?
The InChIKey is OYWJGGZRTWRTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(24)22-7-9-23(10-8-22)16-3-4-17-18(13-16)21(2)19(20-17)15-5-11-25-12-6-15/h3-4,13,15H,5-12H2,1-2H3.
What are the key properties of 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone?
1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134126837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).