1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C27H35ClN4O — CID 57227555

IUPAC1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCN([C@H]3C[C@H](c4ccccc4)c4cc(Cl)ccc43)CC2)C1=O
InChIInChI=1S/C27H35ClN4O/c1-20(2)32-17-16-31(27(32)33)15-12-29-10-13-30(14-11-29)26-19-24(21-6-4-3-5-7-21)25-18-22(28)8-9-23(25)26/h3-9,18,20,24,26H,10-17,19H2,1-2H3/t24-,26+/m1/s1
InChIKeyCVLNVCXWAROBFP-RSXGOPAZSA-N
MW467.06 g/mol
LogP4.68
Rot. Bonds6

About 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 57227555) has the molecular formula C27H35ClN4O and a molecular weight of 467.06 g/mol. Its IUPAC name is 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID57227555
Molecular FormulaC27H35ClN4O
Molecular Weight467.06 g/mol
Exact Mass466.25
IUPAC Name1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCN([C@H]3C[C@H](c4ccccc4)c4cc(Cl)ccc43)CC2)C1=O
InChIInChI=1S/C27H35ClN4O/c1-20(2)32-17-16-31(27(32)33)15-12-29-10-13-30(14-11-29)26-19-24(21-6-4-3-5-7-21)25-18-22(28)8-9-23(25)26/h3-9,18,20,24,26H,10-17,19H2,1-2H3/t24-,26+/m1/s1
InChIKeyCVLNVCXWAROBFP-RSXGOPAZSA-N
XLogP4.68
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.06
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 57227555) is 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN2CCN([C@H]3C[C@H](c4ccccc4)c4cc(Cl)ccc43)CC2)C1=O.
What is the InChIKey of 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is CVLNVCXWAROBFP-RSXGOPAZSA-N. The full InChI is InChI=1S/C27H35ClN4O/c1-20(2)32-17-16-31(27(32)33)15-12-29-10-13-30(14-11-29)26-19-24(21-6-4-3-5-7-21)25-18-22(28)8-9-23(25)26/h3-9,18,20,24,26H,10-17,19H2,1-2H3/t24-,26+/m1/s1.
What are the key properties of 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 467.06 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1S,3R)-5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 57227555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).