1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one

C25H26N4O — CID 42618253

IUPAC1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESO=c1n(CCN2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C25H26N4O/c30-25-28(20-17-26-15-18-27(19-16-26)21-9-3-1-4-10-21)23-13-7-8-14-24(23)29(25)22-11-5-2-6-12-22/h1-14H,15-20H2
InChIKeyLXEDNZVXCRMCHZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.61
Rot. Bonds5

About 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one

1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one (PubChem CID 42618253) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
PubChem CID42618253
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one
SMILESO=c1n(CCN2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C25H26N4O/c30-25-28(20-17-26-15-18-27(19-16-26)21-9-3-1-4-10-21)23-13-7-8-14-24(23)29(25)22-11-5-2-6-12-22/h1-14H,15-20H2
InChIKeyLXEDNZVXCRMCHZ-UHFFFAOYSA-N
XLogP3.61
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxatomide
CID 4615
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
2-Imidazolidinone, 1,3-diphenyl-
CID 975958
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-[1-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
CID 12763888
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-propylbenzimidazol-2-one
CID 58511930
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one
CID 59630029
4-ethyl-N,N-diphenylpiperazine-1-carboxamide
CID 1835483
Benzimidazolone scaffold, 15g
CID 25256850

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The IUPAC name of 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one (CID 42618253) is 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one is O=c1n(CCN2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
The InChIKey is LXEDNZVXCRMCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25-28(20-17-26-15-18-27(19-16-26)21-9-3-1-4-10-21)23-13-7-8-14-24(23)29(25)22-11-5-2-6-12-22/h1-14H,15-20H2.
What are the key properties of 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one?
1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one has a molecular weight of 398.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-one is sourced from PubChem (CID 42618253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).