2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one

C25H24N4O3 — CID 71800346

IUPAC2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C25H24N4O3/c30-21-18-23(32-22-9-5-4-8-20(21)22)25(31)29-16-13-27(14-17-29)12-15-28-11-10-26-24(28)19-6-2-1-3-7-19/h1-11,18H,12-17H2
InChIKeyXFZGAVKGPPPDAX-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one

2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one (PubChem CID 71800346) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one
PubChem CID71800346
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C25H24N4O3/c30-21-18-23(32-22-9-5-4-8-20(21)22)25(31)29-16-13-27(14-17-29)12-15-28-11-10-26-24(28)19-6-2-1-3-7-19/h1-11,18H,12-17H2
InChIKeyXFZGAVKGPPPDAX-UHFFFAOYSA-N
XLogP3.11
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one (CID 71800346) is 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one?
The InChIKey is XFZGAVKGPPPDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-21-18-23(32-22-9-5-4-8-20(21)22)25(31)29-16-13-27(14-17-29)12-15-28-11-10-26-24(28)19-6-2-1-3-7-19/h1-11,18H,12-17H2.
What are the key properties of 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one?
2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one has a molecular weight of 428.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 71800346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).