1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one

C33H30F6N6O3 — CID 160791525

IUPAC1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C(F)(F)F)o3)ccc21.CC1(C)C(=O)N(C2CC2)c2cc(-n3cnc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C17H16F3N3O.C16H14F3N3O2/c1-16(2)12-6-5-11(22-8-14(21-9-22)17(18,19)20)7-13(12)23(15(16)24)10-3-4-10;1-15(2)10-6-3-8(12-20-21-13(24-12)16(17,18)19)7-11(10)22(14(15)23)9-4-5-9/h5-10H,3-4H2,1-2H3;3,6-7,9H,4-5H2,1-2H3
InChIKeySBWRGKBTAFEFBO-UHFFFAOYSA-N
MW672.63 g/mol
LogP7.22
Rot. Bonds4

About 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one

1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one (PubChem CID 160791525) has the molecular formula C33H30F6N6O3 and a molecular weight of 672.63 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one
PubChem CID160791525
Molecular FormulaC33H30F6N6O3
Molecular Weight672.63 g/mol
Exact Mass672.23
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C(F)(F)F)o3)ccc21.CC1(C)C(=O)N(C2CC2)c2cc(-n3cnc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C17H16F3N3O.C16H14F3N3O2/c1-16(2)12-6-5-11(22-8-14(21-9-22)17(18,19)20)7-13(12)23(15(16)24)10-3-4-10;1-15(2)10-6-3-8(12-20-21-13(24-12)16(17,18)19)7-11(10)22(14(15)23)9-4-5-9/h5-10H,3-4H2,1-2H3;3,6-7,9H,4-5H2,1-2H3
InChIKeySBWRGKBTAFEFBO-UHFFFAOYSA-N
XLogP7.22
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.63
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one with MolForge

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Related Compounds

5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722414
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722734
6-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722892
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722920
3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one
CID 157290182
3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]-1H-indol-2-one;6-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethyl-1H-indol-2-one
CID 159822240
Ditert-butyl 2-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]iminoimidazolidine-1,3-dicarboxylate
CID 162721899
2-(Difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722124
2-[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 177181298
1-(2-Hydroxyethyl)-3,3-dimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(4-pyridin-3-ylimidazol-1-yl)indol-2-one
CID 118526190
3,3-Dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one
CID 118611496
3,3-Dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one
CID 118611512

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one (CID 160791525) is 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one is CC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C(F)(F)F)o3)ccc21.CC1(C)C(=O)N(C2CC2)c2cc(-n3cnc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one?
The InChIKey is SBWRGKBTAFEFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O.C16H14F3N3O2/c1-16(2)12-6-5-11(22-8-14(21-9-22)17(18,19)20)7-13(12)23(15(16)24)10-3-4-10;1-15(2)10-6-3-8(12-20-21-13(24-12)16(17,18)19)7-11(10)22(14(15)23)9-4-5-9/h5-10H,3-4H2,1-2H3;3,6-7,9H,4-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one?
1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one has a molecular weight of 672.63 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one is sourced from PubChem (CID 160791525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).