1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine

C19H14F4N4O — CID 59321333

IUPAC1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3cc(F)ccc3C)n12
InChIInChI=1S/C19H14F4N4O/c1-9-4-5-12(20)8-13(9)18-24-10(2)17-26-25-16-14(27(17)18)6-11(19(21,22)23)7-15(16)28-3/h4-8H,1-3H3
InChIKeyLCBVQANXPVJLAM-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.73
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine

1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 59321333) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
PubChem CID59321333
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3cc(F)ccc3C)n12
InChIInChI=1S/C19H14F4N4O/c1-9-4-5-12(20)8-13(9)18-24-10(2)17-26-25-16-14(27(17)18)6-11(19(21,22)23)7-15(16)28-3/h4-8H,1-3H3
InChIKeyLCBVQANXPVJLAM-UHFFFAOYSA-N
XLogP4.73
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 59321314
1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 68599250
7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46199931
6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 46200399
8-fluoro-6-methoxy-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630190
1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321269
1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 110173676
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71295521
1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321285
2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine (CID 59321333) is 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine is COc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3cc(F)ccc3C)n12.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is LCBVQANXPVJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c1-9-4-5-12(20)8-13(9)18-24-10(2)17-26-25-16-14(27(17)18)6-11(19(21,22)23)7-15(16)28-3/h4-8H,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 390.34 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 59321333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).