4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide

C26H26F2N4O2S — CID 118108478

IUPAC4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide
SMILESCc1cc(N2CCS(=O)CC2)ncc1-c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1
InChIInChI=1S/C26H26F2N4O2S/c1-17-13-25(31-9-11-35(33)12-10-31)29-15-21(17)19-7-8-22-23(14-19)32(18(2)30-22)16-20-5-3-4-6-24(20)34-26(27)28/h3-8,13-15,26H,9-12,16H2,1-2H3
InChIKeyRLKRTONQYQDGRR-UHFFFAOYSA-N
MW496.58 g/mol
LogP4.93
Rot. Bonds6

About 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide

4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide (PubChem CID 118108478) has the molecular formula C26H26F2N4O2S and a molecular weight of 496.58 g/mol. Its IUPAC name is 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide
PubChem CID118108478
Molecular FormulaC26H26F2N4O2S
Molecular Weight496.58 g/mol
Exact Mass496.17
IUPAC Name4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide
SMILESCc1cc(N2CCS(=O)CC2)ncc1-c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1
InChIInChI=1S/C26H26F2N4O2S/c1-17-13-25(31-9-11-35(33)12-10-31)29-15-21(17)19-7-8-22-23(14-19)32(18(2)30-22)16-20-5-3-4-6-24(20)34-26(27)28/h3-8,13-15,26H,9-12,16H2,1-2H3
InChIKeyRLKRTONQYQDGRR-UHFFFAOYSA-N
XLogP4.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide with MolForge

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Related Compounds

2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-2-pyridinyl]piperazin-1-yl]acetic acid;hydrochloride
CID 118108581
6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole
CID 118108463
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
CID 118108504
6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
CID 118108433
1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole
CID 118108489
6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole
CID 118108486
sodium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-6-fluoro-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]cyclohexane-1-carboxylate
CID 118108605
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methyl-6-(2-propan-2-yloxypyrimidin-5-yl)benzimidazole
CID 163208711
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699393
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699565
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
CID 141394809

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide (CID 118108478) is 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide is Cc1cc(N2CCS(=O)CC2)ncc1-c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1.
What is the InChIKey of 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide?
The InChIKey is RLKRTONQYQDGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2S/c1-17-13-25(31-9-11-35(33)12-10-31)29-15-21(17)19-7-8-22-23(14-19)32(18(2)30-22)16-20-5-3-4-6-24(20)34-26(27)28/h3-8,13-15,26H,9-12,16H2,1-2H3.
What are the key properties of 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide?
4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide has a molecular weight of 496.58 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 118108478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).