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

C28H37ClN4O — CID 139903759

IUPAC1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc([C@@H]2C[C@@H](N3CCN(CCN4CCN(C(C)C)C4=O)CC3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C28H37ClN4O/c1-20(2)33-17-16-32(28(33)34)15-12-30-10-13-31(14-11-30)27-19-25(22-6-4-21(3)5-7-22)26-18-23(29)8-9-24(26)27/h4-9,18,20,25,27H,10-17,19H2,1-3H3/t25-,27+/m0/s1
InChIKeyJRIOFYBJCTZIOW-AHKZPQOWSA-N
MW481.08 g/mol
LogP4.99
Rot. Bonds6

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

1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 139903759) has the molecular formula C28H37ClN4O and a molecular weight of 481.08 g/mol. Its IUPAC name is 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID139903759
Molecular FormulaC28H37ClN4O
Molecular Weight481.08 g/mol
Exact Mass480.27
IUPAC Name1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc([C@@H]2C[C@@H](N3CCN(CCN4CCN(C(C)C)C4=O)CC3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C28H37ClN4O/c1-20(2)33-17-16-32(28(33)34)15-12-30-10-13-31(14-11-30)27-19-25(22-6-4-21(3)5-7-22)26-18-23(29)8-9-24(26)27/h4-9,18,20,25,27H,10-17,19H2,1-3H3/t25-,27+/m0/s1
InChIKeyJRIOFYBJCTZIOW-AHKZPQOWSA-N
XLogP4.99
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.08
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-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-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 139903759) is 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-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-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc([C@@H]2C[C@@H](N3CCN(CCN4CCN(C(C)C)C4=O)CC3)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is JRIOFYBJCTZIOW-AHKZPQOWSA-N. The full InChI is InChI=1S/C28H37ClN4O/c1-20(2)33-17-16-32(28(33)34)15-12-30-10-13-31(14-11-30)27-19-25(22-6-4-21(3)5-7-22)26-18-23(29)8-9-24(26)27/h4-9,18,20,25,27H,10-17,19H2,1-3H3/t25-,27+/m0/s1.
What are the key properties of 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 481.08 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1R,3S)-5-chloro-3-(4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 139903759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).