3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole

C23H19F3N4O — CID 150866958

IUPAC3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole
SMILESCC1=C(c2cc(-c3c(C)ccc4ncccc34)c3nc(C(F)(F)F)[nH]c3c2)N(C)CO1
InChIInChI=1S/C23H19F3N4O/c1-12-6-7-17-15(5-4-8-27-17)19(12)16-9-14(21-13(2)31-11-30(21)3)10-18-20(16)29-22(28-18)23(24,25)26/h4-10H,11H2,1-3H3,(H,28,29)
InChIKeyKTGFSCQUQINONS-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.71
Rot. Bonds2

About 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole

3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole (PubChem CID 150866958) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole
PubChem CID150866958
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole
SMILESCC1=C(c2cc(-c3c(C)ccc4ncccc34)c3nc(C(F)(F)F)[nH]c3c2)N(C)CO1
InChIInChI=1S/C23H19F3N4O/c1-12-6-7-17-15(5-4-8-27-17)19(12)16-9-14(21-13(2)31-11-30(21)3)10-18-20(16)29-22(28-18)23(24,25)26/h4-10H,11H2,1-3H3,(H,28,29)
InChIKeyKTGFSCQUQINONS-UHFFFAOYSA-N
XLogP5.71
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-(7-iodo-2-methyl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 159395312
4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158529604
CID 159738279
CID 159738279
N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide
CID 123335373
3-methyl-1,7-phenanthrolin-2-amine
CID 63231728
N-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(methylamino)-6-(6-methylquinolin-5-yl)phenyl]-N-methylformamide
CID 126692383
3-methyl-N-propyl-1,7-phenanthrolin-2-amine
CID 63231772
2-cyclopropyl-3-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63968686
4-methyl-3-quinolin-6-ylaniline
CID 81224667
3-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine
CID 118507367
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-methyl-8-[5-methyl-4-(6-methylquinolin-5-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 176778959
6-methylquinoline
CID 7059

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole?
The IUPAC name of 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole (CID 150866958) is 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole is CC1=C(c2cc(-c3c(C)ccc4ncccc34)c3nc(C(F)(F)F)[nH]c3c2)N(C)CO1.
What is the InChIKey of 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole?
The InChIKey is KTGFSCQUQINONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-12-6-7-17-15(5-4-8-27-17)19(12)16-9-14(21-13(2)31-11-30(21)3)10-18-20(16)29-22(28-18)23(24,25)26/h4-10H,11H2,1-3H3,(H,28,29).
What are the key properties of 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole?
3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole has a molecular weight of 424.43 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2H-1,3-oxazole is sourced from PubChem (CID 150866958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).