1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one

C19H21BrClF3N4O2Si — CID 162388305

IUPAC1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one
SMILESC[Si](C)(C)CCOCn1cc(Cn2c(=O)nc(Cl)c3ccc(C(F)(F)F)cc32)nc1Br
InChIInChI=1S/C19H21BrClF3N4O2Si/c1-31(2,3)7-6-30-11-27-9-13(25-17(27)20)10-28-15-8-12(19(22,23)24)4-5-14(15)16(21)26-18(28)29/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyVBCBICOTOWBDKV-UHFFFAOYSA-N
MW537.84 g/mol
LogP5.39
Rot. Bonds7

About 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one

1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 162388305) has the molecular formula C19H21BrClF3N4O2Si and a molecular weight of 537.84 g/mol. Its IUPAC name is 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one
PubChem CID162388305
Molecular FormulaC19H21BrClF3N4O2Si
Molecular Weight537.84 g/mol
Exact Mass536.03
IUPAC Name1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one
SMILESC[Si](C)(C)CCOCn1cc(Cn2c(=O)nc(Cl)c3ccc(C(F)(F)F)cc32)nc1Br
InChIInChI=1S/C19H21BrClF3N4O2Si/c1-31(2,3)7-6-30-11-27-9-13(25-17(27)20)10-28-15-8-12(19(22,23)24)4-5-14(15)16(21)26-18(28)29/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyVBCBICOTOWBDKV-UHFFFAOYSA-N
XLogP5.39
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.84
LogP ≤ 55.39
H-Bond Donors ≤ 50
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

4,7-dichloro-1-[[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]quinazolin-2-one
CID 162388393
2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide
CID 162388348
7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine
CID 155742443
2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
CID 86705759
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693

Frequently Asked Questions

What is the IUPAC name of 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one (CID 162388305) is 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one is C[Si](C)(C)CCOCn1cc(Cn2c(=O)nc(Cl)c3ccc(C(F)(F)F)cc32)nc1Br.
What is the InChIKey of 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is VBCBICOTOWBDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClF3N4O2Si/c1-31(2,3)7-6-30-11-27-9-13(25-17(27)20)10-28-15-8-12(19(22,23)24)4-5-14(15)16(21)26-18(28)29/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one?
1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 537.84 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 162388305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).