1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone

C25H24N4O — CID 2997777

IUPAC1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H24N4O/c30-24(20-9-3-1-4-10-20)19-29-23-14-8-7-13-22(23)26-25(29)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyTYDMDPQROWYMKV-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.25
Rot. Bonds5

About 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone

1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone (PubChem CID 2997777) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone
PubChem CID2997777
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H24N4O/c30-24(20-9-3-1-4-10-20)19-29-23-14-8-7-13-22(23)26-25(29)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyTYDMDPQROWYMKV-UHFFFAOYSA-N
XLogP4.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone (CID 2997777) is 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone is O=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone?
The InChIKey is TYDMDPQROWYMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-24(20-9-3-1-4-10-20)19-29-23-14-8-7-13-22(23)26-25(29)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-14H,15-19H2.
What are the key properties of 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone?
1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 2997777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).