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

C27H34Cl2N4O — CID 57081227

IUPAC1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-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](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O
InChIInChI=1S/C27H34Cl2N4O/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-5-21(28)6-4-20)25-17-22(29)7-8-23(25)26/h3-8,17,19,24,26H,9-16,18H2,1-2H3/t24-,26+/m1/s1
InChIKeyMNGBFDADKNTDGN-RSXGOPAZSA-N
MW501.50 g/mol
LogP5.33
Rot. Bonds6

About 1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-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-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 57081227) has the molecular formula C27H34Cl2N4O and a molecular weight of 501.50 g/mol. Its IUPAC name is 1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-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-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID57081227
Molecular FormulaC27H34Cl2N4O
Molecular Weight501.50 g/mol
Exact Mass500.21
IUPAC Name1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-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](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O
InChIInChI=1S/C27H34Cl2N4O/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-5-21(28)6-4-20)25-17-22(29)7-8-23(25)26/h3-8,17,19,24,26H,9-16,18H2,1-2H3/t24-,26+/m1/s1
InChIKeyMNGBFDADKNTDGN-RSXGOPAZSA-N
XLogP5.33
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 57081227) is 1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O.
What is the InChIKey of 1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is MNGBFDADKNTDGN-RSXGOPAZSA-N. The full InChI is InChI=1S/C27H34Cl2N4O/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-5-21(28)6-4-20)25-17-22(29)7-8-23(25)26/h3-8,17,19,24,26H,9-16,18H2,1-2H3/t24-,26+/m1/s1.
What are the key properties of 1-[2-[4-[(1S,3R)-5-chloro-3-(4-chlorophenyl)-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-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 501.50 g/mol, XLogP of 5.33, 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-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 57081227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).