6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one

C19H22N4O — CID 87757220

IUPAC6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(CCc3ccccc3)cc(N3CCNCC3)c2[nH]1
InChIInChI=1S/C19H22N4O/c24-19-21-16-12-15(7-6-14-4-2-1-3-5-14)13-17(18(16)22-19)23-10-8-20-9-11-23/h1-5,12-13,20H,6-11H2,(H2,21,22,24)
InChIKeyCSGIOBWUAZBRAM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.05
Rot. Bonds4

About 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one

6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one (PubChem CID 87757220) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one
PubChem CID87757220
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(CCc3ccccc3)cc(N3CCNCC3)c2[nH]1
InChIInChI=1S/C19H22N4O/c24-19-21-16-12-15(7-6-14-4-2-1-3-5-14)13-17(18(16)22-19)23-10-8-20-9-11-23/h1-5,12-13,20H,6-11H2,(H2,21,22,24)
InChIKeyCSGIOBWUAZBRAM-UHFFFAOYSA-N
XLogP2.05
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one (CID 87757220) is 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(CCc3ccccc3)cc(N3CCNCC3)c2[nH]1.
What is the InChIKey of 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CSGIOBWUAZBRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19-21-16-12-15(7-6-14-4-2-1-3-5-14)13-17(18(16)22-19)23-10-8-20-9-11-23/h1-5,12-13,20H,6-11H2,(H2,21,22,24).
What are the key properties of 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one?
6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 87757220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).