3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one

C20H21F3N4O3 — CID 175711521

IUPAC3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCON1c2cc(C(F)(F)F)ccc2N(C)C1c1nc(C)ccc1N1CCOC1=O
InChIInChI=1S/C20H21F3N4O3/c1-4-30-27-16-11-13(20(21,22)23)6-8-14(16)25(3)18(27)17-15(7-5-12(2)24-17)26-9-10-29-19(26)28/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyKOTZTIHKHQFHPD-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.27
Rot. Bonds4

About 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one

3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 175711521) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID175711521
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCON1c2cc(C(F)(F)F)ccc2N(C)C1c1nc(C)ccc1N1CCOC1=O
InChIInChI=1S/C20H21F3N4O3/c1-4-30-27-16-11-13(20(21,22)23)6-8-14(16)25(3)18(27)17-15(7-5-12(2)24-17)26-9-10-29-19(26)28/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyKOTZTIHKHQFHPD-UHFFFAOYSA-N
XLogP4.27
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one (CID 175711521) is 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one is CCON1c2cc(C(F)(F)F)ccc2N(C)C1c1nc(C)ccc1N1CCOC1=O.
What is the InChIKey of 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is KOTZTIHKHQFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-4-30-27-16-11-13(20(21,22)23)6-8-14(16)25(3)18(27)17-15(7-5-12(2)24-17)26-9-10-29-19(26)28/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one?
3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 422.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-ethoxy-1-methyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]-6-methyl-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 175711521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).