1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one

C26H20F2N6O2 — CID 167419709

IUPAC1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one
SMILESCc1cc2ccc(-c3ccc4c(c3)n(C)c(=O)n4Cc3ccc(-c4nnc(C(F)F)o4)cn3)cc2[nH]1
InChIInChI=1S/C26H20F2N6O2/c1-14-9-17-4-3-15(10-20(17)30-14)16-6-8-21-22(11-16)33(2)26(35)34(21)13-19-7-5-18(12-29-19)24-31-32-25(36-24)23(27)28/h3-12,23,30H,13H2,1-2H3
InChIKeyMYXKMXJYCZALSJ-UHFFFAOYSA-N
MW486.48 g/mol
LogP5.23
Rot. Bonds5

About 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one (PubChem CID 167419709) has the molecular formula C26H20F2N6O2 and a molecular weight of 486.48 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one
PubChem CID167419709
Molecular FormulaC26H20F2N6O2
Molecular Weight486.48 g/mol
Exact Mass486.16
IUPAC Name1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one
SMILESCc1cc2ccc(-c3ccc4c(c3)n(C)c(=O)n4Cc3ccc(-c4nnc(C(F)F)o4)cn3)cc2[nH]1
InChIInChI=1S/C26H20F2N6O2/c1-14-9-17-4-3-15(10-20(17)30-14)16-6-8-21-22(11-16)33(2)26(35)34(21)13-19-7-5-18(12-29-19)24-31-32-25(36-24)23(27)28/h3-12,23,30H,13H2,1-2H3
InChIKeyMYXKMXJYCZALSJ-UHFFFAOYSA-N
XLogP5.23
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one?
The IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one (CID 167419709) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one.
What is the SMILES notation for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one?
The canonical SMILES for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one is Cc1cc2ccc(-c3ccc4c(c3)n(C)c(=O)n4Cc3ccc(-c4nnc(C(F)F)o4)cn3)cc2[nH]1.
What is the InChIKey of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one?
The InChIKey is MYXKMXJYCZALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O2/c1-14-9-17-4-3-15(10-20(17)30-14)16-6-8-21-22(11-16)33(2)26(35)34(21)13-19-7-5-18(12-29-19)24-31-32-25(36-24)23(27)28/h3-12,23,30H,13H2,1-2H3.
What are the key properties of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one?
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one has a molecular weight of 486.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one is sourced from PubChem (CID 167419709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).