1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C25H26N4O4 — CID 54043591

IUPAC1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CC3=NCC(c4ccccc4)(c4ccccc4)N3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N4O4/c1-16-14-29(24(32)27-23(16)31)22-12-19(30)20(33-22)13-21-26-15-25(28-21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19-20,22,30H,12-13,15H2,1H3,(H,26,28)(H,27,31,32)/t19-,20+,22+/m0/s1
InChIKeyLOAOSOIWFUOLBV-TUNNFDKTSA-N
MW446.51 g/mol
LogP1.83
Rot. Bonds5

About 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 54043591) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID54043591
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CC3=NCC(c4ccccc4)(c4ccccc4)N3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N4O4/c1-16-14-29(24(32)27-23(16)31)22-12-19(30)20(33-22)13-21-26-15-25(28-21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19-20,22,30H,12-13,15H2,1H3,(H,26,28)(H,27,31,32)/t19-,20+,22+/m0/s1
InChIKeyLOAOSOIWFUOLBV-TUNNFDKTSA-N
XLogP1.83
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,4S,5R)-5-(benzhydryloxymethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22877790
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylazanium
CID 7272008
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011
1-[(2R,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57079111
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 514178
1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11755083
1-[(2R,4S,5R)-4-hydroxy-5-[(tritylamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54327478
1-[(2R,4S,5R)-4-hydroxy-5-(phenylselanyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22862774
actinium;1-[(5S)-4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59948488

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 54043591) is 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](CC3=NCC(c4ccccc4)(c4ccccc4)N3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is LOAOSOIWFUOLBV-TUNNFDKTSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16-14-29(24(32)27-23(16)31)22-12-19(30)20(33-22)13-21-26-15-25(28-21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19-20,22,30H,12-13,15H2,1H3,(H,26,28)(H,27,31,32)/t19-,20+,22+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 446.51 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-[(5,5-diphenyl-1,4-dihydroimidazol-2-yl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 54043591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).