4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one

C24H40N4O3Si — CID 140899986

IUPAC4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one
SMILESCC(C)[Si](OCC[C@@H](C)n1c(N)nc2cc(N3CCOCC3=O)ccc21)(C(C)C)C(C)C
InChIInChI=1S/C24H40N4O3Si/c1-16(2)32(17(3)4,18(5)6)31-12-10-19(7)28-22-9-8-20(14-21(22)26-24(28)25)27-11-13-30-15-23(27)29/h8-9,14,16-19H,10-13,15H2,1-7H3,(H2,25,26)/t19-/m1/s1
InChIKeyCTLCHTHGECSAAT-LJQANCHMSA-N
MW460.70 g/mol
LogP5.12
Rot. Bonds9

About 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one

4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one (PubChem CID 140899986) has the molecular formula C24H40N4O3Si and a molecular weight of 460.70 g/mol. Its IUPAC name is 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one
PubChem CID140899986
Molecular FormulaC24H40N4O3Si
Molecular Weight460.70 g/mol
Exact Mass460.29
IUPAC Name4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one
SMILESCC(C)[Si](OCC[C@@H](C)n1c(N)nc2cc(N3CCOCC3=O)ccc21)(C(C)C)C(C)C
InChIInChI=1S/C24H40N4O3Si/c1-16(2)32(17(3)4,18(5)6)31-12-10-19(7)28-22-9-8-20(14-21(22)26-24(28)25)27-11-13-30-15-23(27)29/h8-9,14,16-19H,10-13,15H2,1-7H3,(H2,25,26)/t19-/m1/s1
InChIKeyCTLCHTHGECSAAT-LJQANCHMSA-N
XLogP5.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one
CID 140899992
tert-butyl 2-[2-amino-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]acetate
CID 126705572
4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one
CID 156570633
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate
CID 167909828
5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 66081185
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one?
The IUPAC name of 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one (CID 140899986) is 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one.
What is the SMILES notation for 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one?
The canonical SMILES for 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one is CC(C)[Si](OCC[C@@H](C)n1c(N)nc2cc(N3CCOCC3=O)ccc21)(C(C)C)C(C)C.
What is the InChIKey of 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one?
The InChIKey is CTLCHTHGECSAAT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H40N4O3Si/c1-16(2)32(17(3)4,18(5)6)31-12-10-19(7)28-22-9-8-20(14-21(22)26-24(28)25)27-11-13-30-15-23(27)29/h8-9,14,16-19H,10-13,15H2,1-7H3,(H2,25,26)/t19-/m1/s1.
What are the key properties of 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one?
4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one has a molecular weight of 460.70 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-[(2R)-4-tri(propan-2-yl)silyloxybutan-2-yl]benzimidazol-5-yl]morpholin-3-one is sourced from PubChem (CID 140899986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).