1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one

C40H46N6O4 — CID 54597742

IUPAC1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCN(CCN3CCN(Cc4cccc(Oc5ccccc5)c4)C3=O)CC2)CCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C40H46N6O4/c47-39-43(25-27-45(39)31-33-9-7-15-37(29-33)49-35-11-3-1-4-12-35)23-21-41-17-19-42(20-18-41)22-24-44-26-28-46(40(44)48)32-34-10-8-16-38(30-34)50-36-13-5-2-6-14-36/h1-16,29-30H,17-28,31-32H2
InChIKeyLGJMVPOJBZAGDI-UHFFFAOYSA-N
MW674.85 g/mol
LogP6.06
Rot. Bonds14

About 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one

1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 54597742) has the molecular formula C40H46N6O4 and a molecular weight of 674.85 g/mol. Its IUPAC name is 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one
PubChem CID54597742
Molecular FormulaC40H46N6O4
Molecular Weight674.85 g/mol
Exact Mass674.36
IUPAC Name1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCN(CCN3CCN(Cc4cccc(Oc5ccccc5)c4)C3=O)CC2)CCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C40H46N6O4/c47-39-43(25-27-45(39)31-33-9-7-15-37(29-33)49-35-11-3-1-4-12-35)23-21-41-17-19-42(20-18-41)22-24-44-26-28-46(40(44)48)32-34-10-8-16-38(30-34)50-36-13-5-2-6-14-36/h1-16,29-30H,17-28,31-32H2
InChIKeyLGJMVPOJBZAGDI-UHFFFAOYSA-N
XLogP6.06
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one (CID 54597742) is 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one is O=C1N(CCN2CCN(CCN3CCN(Cc4cccc(Oc5ccccc5)c4)C3=O)CC2)CCN1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is LGJMVPOJBZAGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N6O4/c47-39-43(25-27-45(39)31-33-9-7-15-37(29-33)49-35-11-3-1-4-12-35)23-21-41-17-19-42(20-18-41)22-24-44-26-28-46(40(44)48)32-34-10-8-16-38(30-34)50-36-13-5-2-6-14-36/h1-16,29-30H,17-28,31-32H2.
What are the key properties of 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one?
1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 674.85 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]ethyl]piperazin-1-yl]ethyl]-3-[(3-phenoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 54597742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).