(2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

C37H40N4O4 — CID 11753735

IUPAC(2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2cccnc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C37H40N4O4/c42-32(25-41-31(19-27-12-5-2-6-13-27)24-40(37(41)45)23-28-14-9-17-38-22-28)20-30(18-26-10-3-1-4-11-26)36(44)39-35-33-16-8-7-15-29(33)21-34(35)43/h1-17,22,30-32,34-35,42-43H,18-21,23-25H2,(H,39,44)/t30-,31+,32+,34-,35+/m1/s1
InChIKeyHLIQLUBLCWNUIK-HYKYCYJKSA-N
MW604.75 g/mol
LogP4.31
Rot. Bonds12

About (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

(2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (PubChem CID 11753735) has the molecular formula C37H40N4O4 and a molecular weight of 604.75 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide.

Molecular Properties

Compound Name(2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
PubChem CID11753735
Molecular FormulaC37H40N4O4
Molecular Weight604.75 g/mol
Exact Mass604.30
IUPAC Name(2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2cccnc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C37H40N4O4/c42-32(25-41-31(19-27-12-5-2-6-13-27)24-40(37(41)45)23-28-14-9-17-38-22-28)20-30(18-26-10-3-1-4-11-26)36(44)39-35-33-16-8-7-15-29(33)21-34(35)43/h1-17,22,30-32,34-35,42-43H,18-21,23-25H2,(H,39,44)/t30-,31+,32+,34-,35+/m1/s1
InChIKeyHLIQLUBLCWNUIK-HYKYCYJKSA-N
XLogP4.31
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.75
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
The IUPAC name of (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (CID 11753735) is (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide.
What is the SMILES notation for (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
The canonical SMILES for (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2cccnc2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
The InChIKey is HLIQLUBLCWNUIK-HYKYCYJKSA-N. The full InChI is InChI=1S/C37H40N4O4/c42-32(25-41-31(19-27-12-5-2-6-13-27)24-40(37(41)45)23-28-14-9-17-38-22-28)20-30(18-26-10-3-1-4-11-26)36(44)39-35-33-16-8-7-15-29(33)21-34(35)43/h1-17,22,30-32,34-35,42-43H,18-21,23-25H2,(H,39,44)/t30-,31+,32+,34-,35+/m1/s1.
What are the key properties of (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?
(2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide has a molecular weight of 604.75 g/mol, XLogP of 4.31, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is sourced from PubChem (CID 11753735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).