5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one

C21H17F2N3O2 — CID 118108504

IUPAC5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
SMILESCc1nc2ccc(-c3ccc(=O)[nH]c3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C21H17F2N3O2/c1-13-25-17-8-6-14(15-7-9-20(27)24-11-15)10-18(17)26(13)12-16-4-2-3-5-19(16)28-21(22)23/h2-11,21H,12H2,1H3,(H,24,27)
InChIKeyXGOAXZSUEGXPJG-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.35
Rot. Bonds5

About 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one (PubChem CID 118108504) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
PubChem CID118108504
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
SMILESCc1nc2ccc(-c3ccc(=O)[nH]c3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C21H17F2N3O2/c1-13-25-17-8-6-14(15-7-9-20(27)24-11-15)10-18(17)26(13)12-16-4-2-3-5-19(16)28-21(22)23/h2-11,21H,12H2,1H3,(H,24,27)
InChIKeyXGOAXZSUEGXPJG-UHFFFAOYSA-N
XLogP4.35
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699395
6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
CID 118108433
2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-2-pyridinyl]piperazin-1-yl]acetic acid;hydrochloride
CID 118108581
4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide
CID 118108478
6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole
CID 118108463
1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole
CID 118108489
5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one
CID 118108616
6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole
CID 118108486
5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one
CID 129186896
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methyl-6-(2-propan-2-yloxypyrimidin-5-yl)benzimidazole
CID 163208711

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one (CID 118108504) is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one is Cc1nc2ccc(-c3ccc(=O)[nH]c3)cc2n1Cc1ccccc1OC(F)F.
What is the InChIKey of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one?
The InChIKey is XGOAXZSUEGXPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-13-25-17-8-6-14(15-7-9-20(27)24-11-15)10-18(17)26(13)12-16-4-2-3-5-19(16)28-21(22)23/h2-11,21H,12H2,1H3,(H,24,27).
What are the key properties of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one?
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one has a molecular weight of 381.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 118108504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).