2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

C75H77F20N19O3 — CID 158679745

IUPAC2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)c1cn2cc(C(F)(F)F)ncc2n1.CC(C)c1cn2cnc(C(F)(F)F)cc2n1.CC(C)c1nc2cc(C(F)(F)F)ccc2n1C.CC(C)c1nc2cc(C(F)(F)F)cnc2n1C.CC(C)c1nc2cc(C(F)(F)F)cnc2o1.CC(C)c1nc2cc(C(F)(F)F)nnc2n1C.CC(C)c1nc2cc3c(cc2n1C)OC(F)(F)O3
InChIInChI=1S/C12H13F3N2.C12H12F2N2O2.C11H12F3N3.C10H11F3N4.2C10H10F3N3.C10H9F3N2O/c1-7(2)11-16-9-6-8(12(13,14)15)4-5-10(9)17(11)3;1-6(2)11-15-7-4-9-10(5-8(7)16(11)3)18-12(13,14)17-9;1-6(2)9-16-8-4-7(11(12,13)14)5-15-10(8)17(9)3;1-5(2)8-14-6-4-7(10(11,12)13)15-16-9(6)17(8)3;1-6(2)7-4-16-5-8(10(11,12)13)14-3-9(16)15-7;1-6(2)7-4-16-5-14-8(10(11,12)13)3-9(16)15-7;1-5(2)8-15-7-3-6(10(11,12)13)4-14-9(7)16-8/h4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyIEYURVBMDVFDBY-UHFFFAOYSA-N
MW1672.53 g/mol
LogP21.46
Rot. Bonds7

About 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 158679745) has the molecular formula C75H77F20N19O3 and a molecular weight of 1672.53 g/mol. Its IUPAC name is 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID158679745
Molecular FormulaC75H77F20N19O3
Molecular Weight1672.53 g/mol
Exact Mass1671.61
IUPAC Name2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)c1cn2cc(C(F)(F)F)ncc2n1.CC(C)c1cn2cnc(C(F)(F)F)cc2n1.CC(C)c1nc2cc(C(F)(F)F)ccc2n1C.CC(C)c1nc2cc(C(F)(F)F)cnc2n1C.CC(C)c1nc2cc(C(F)(F)F)cnc2o1.CC(C)c1nc2cc(C(F)(F)F)nnc2n1C.CC(C)c1nc2cc3c(cc2n1C)OC(F)(F)O3
InChIInChI=1S/C12H13F3N2.C12H12F2N2O2.C11H12F3N3.C10H11F3N4.2C10H10F3N3.C10H9F3N2O/c1-7(2)11-16-9-6-8(12(13,14)15)4-5-10(9)17(11)3;1-6(2)11-15-7-4-9-10(5-8(7)16(11)3)18-12(13,14)17-9;1-6(2)9-16-8-4-7(11(12,13)14)5-15-10(8)17(9)3;1-5(2)8-14-6-4-7(10(11,12)13)15-16-9(6)17(8)3;1-6(2)7-4-16-5-8(10(11,12)13)14-3-9(16)15-7;1-6(2)7-4-16-5-14-8(10(11,12)13)3-9(16)15-7;1-5(2)8-15-7-3-6(10(11,12)13)4-14-9(7)16-8/h4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyIEYURVBMDVFDBY-UHFFFAOYSA-N
XLogP21.46
TPSA227.71 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds7
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.53
LogP ≤ 521.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);bis(N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methyl-6-(5-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide);6-(3-isocyano-5-methylfuran-2-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 163699135
2,5-Dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine
CID 158231672

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 158679745) is 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CC(C)c1cn2cc(C(F)(F)F)ncc2n1.CC(C)c1cn2cnc(C(F)(F)F)cc2n1.CC(C)c1nc2cc(C(F)(F)F)ccc2n1C.CC(C)c1nc2cc(C(F)(F)F)cnc2n1C.CC(C)c1nc2cc(C(F)(F)F)cnc2o1.CC(C)c1nc2cc(C(F)(F)F)nnc2n1C.CC(C)c1nc2cc3c(cc2n1C)OC(F)(F)O3.
What is the InChIKey of 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is IEYURVBMDVFDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2.C12H12F2N2O2.C11H12F3N3.C10H11F3N4.2C10H10F3N3.C10H9F3N2O/c1-7(2)11-16-9-6-8(12(13,14)15)4-5-10(9)17(11)3;1-6(2)11-15-7-4-9-10(5-8(7)16(11)3)18-12(13,14)17-9;1-6(2)9-16-8-4-7(11(12,13)14)5-15-10(8)17(9)3;1-5(2)8-14-6-4-7(10(11,12)13)15-16-9(6)17(8)3;1-6(2)7-4-16-5-8(10(11,12)13)14-3-9(16)15-7;1-6(2)7-4-16-5-14-8(10(11,12)13)3-9(16)15-7;1-5(2)8-15-7-3-6(10(11,12)13)4-14-9(7)16-8/h4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 1672.53 g/mol, XLogP of 21.46, 7 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;7-methyl-6-propan-2-yl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-propan-2-yl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 158679745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).