5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine

C22H24ClFN4O2Si — CID 175826959

IUPAC5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3oc(N)nc3c2)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C22H24ClFN4O2Si/c1-31(2,3)9-8-29-13-28-12-26-20(21(28)16-11-15(23)5-6-17(16)24)14-4-7-19-18(10-14)27-22(25)30-19/h4-7,10-12H,8-9,13H2,1-3H3,(H2,25,27)
InChIKeyWVQYKYDSCPXCPC-UHFFFAOYSA-N
MW459.00 g/mol
LogP6.05
Rot. Bonds7

About 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine

5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 175826959) has the molecular formula C22H24ClFN4O2Si and a molecular weight of 459.00 g/mol. Its IUPAC name is 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine
PubChem CID175826959
Molecular FormulaC22H24ClFN4O2Si
Molecular Weight459.00 g/mol
Exact Mass458.13
IUPAC Name5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3oc(N)nc3c2)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C22H24ClFN4O2Si/c1-31(2,3)9-8-29-13-28-12-26-20(21(28)16-11-15(23)5-6-17(16)24)14-4-7-19-18(10-14)27-22(25)30-19/h4-7,10-12H,8-9,13H2,1-3H3,(H2,25,27)
InChIKeyWVQYKYDSCPXCPC-UHFFFAOYSA-N
XLogP6.05
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.00
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150802438
2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150732144
2-[[5-cyclopropyl-4-(2,5-dichlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164851760
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 142467589
tert-butyl (2R)-4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,5-naphthyridin-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2,6-dimethylpiperazine-1-carboxylate
CID 175428318
2-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 70798738
5-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazole;2-[[4-cyclopropyl-5-(2,5-dichlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-cyclopropyl-4-(2,5-dichlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167652623

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine (CID 175826959) is 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine is C[Si](C)(C)CCOCn1cnc(-c2ccc3oc(N)nc3c2)c1-c1cc(Cl)ccc1F.
What is the InChIKey of 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is WVQYKYDSCPXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2Si/c1-31(2,3)9-8-29-13-28-12-26-20(21(28)16-11-15(23)5-6-17(16)24)14-4-7-19-18(10-14)27-22(25)30-19/h4-7,10-12H,8-9,13H2,1-3H3,(H2,25,27).
What are the key properties of 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine?
5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 459.00 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 175826959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).