2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one

C27H34N2O2Si — CID 154408419

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
SMILESCCn1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc2c1CCCCC2=O
InChIInChI=1S/C27H34N2O2Si/c1-5-29-23-18-12-13-19-24(30)26(23)28-25(29)20-31-32(27(2,3)4,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17H,5,12-13,18-20H2,1-4H3
InChIKeyRYQIHAWFABNRGB-UHFFFAOYSA-N
MW446.67 g/mol
LogP4.89
Rot. Bonds6

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one (PubChem CID 154408419) has the molecular formula C27H34N2O2Si and a molecular weight of 446.67 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
PubChem CID154408419
Molecular FormulaC27H34N2O2Si
Molecular Weight446.67 g/mol
Exact Mass446.24
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
SMILESCCn1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc2c1CCCCC2=O
InChIInChI=1S/C27H34N2O2Si/c1-5-29-23-18-12-13-19-24(30)26(23)28-25(29)20-31-32(27(2,3)4,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17H,5,12-13,18-20H2,1-4H3
InChIKeyRYQIHAWFABNRGB-UHFFFAOYSA-N
XLogP4.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.67
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 86086582
1-ethyl-2-(oxetan-3-yloxymethyl)-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one
CID 121458034
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
tert-butyl-[(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methoxy]-diphenylsilane
CID 164522217
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 16655856
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(1S)-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,3a,4,5,7,8,9-octahydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 11225259
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one (CID 154408419) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one is CCn1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc2c1CCCCC2=O.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
The InChIKey is RYQIHAWFABNRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2Si/c1-5-29-23-18-12-13-19-24(30)26(23)28-25(29)20-31-32(27(2,3)4,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17H,5,12-13,18-20H2,1-4H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one has a molecular weight of 446.67 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one is sourced from PubChem (CID 154408419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).