6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole

C25H24F2N4O — CID 118108463

IUPAC6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole
SMILESCc1nc(C2CCC2)ncc1-c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1
InChIInChI=1S/C25H24F2N4O/c1-15-20(13-28-24(29-15)17-7-5-8-17)18-10-11-21-22(12-18)31(16(2)30-21)14-19-6-3-4-9-23(19)32-25(26)27/h3-4,6,9-13,17,25H,5,7-8,14H2,1-2H3
InChIKeySCRPPTWUOXHXAI-UHFFFAOYSA-N
MW434.49 g/mol
LogP6.03
Rot. Bonds6

About 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole

6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole (PubChem CID 118108463) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole
PubChem CID118108463
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole
SMILESCc1nc(C2CCC2)ncc1-c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1
InChIInChI=1S/C25H24F2N4O/c1-15-20(13-28-24(29-15)17-7-5-8-17)18-10-11-21-22(12-18)31(16(2)30-21)14-19-6-3-4-9-23(19)32-25(26)27/h3-4,6,9-13,17,25H,5,7-8,14H2,1-2H3
InChIKeySCRPPTWUOXHXAI-UHFFFAOYSA-N
XLogP6.03
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide
CID 118108478
sodium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-6-fluoro-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]cyclohexane-1-carboxylate
CID 118108605
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
CID 118108504
2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-2-pyridinyl]piperazin-1-yl]acetic acid;hydrochloride
CID 118108581
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
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-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699395
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole?
The IUPAC name of 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole (CID 118108463) is 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole.
What is the SMILES notation for 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole?
The canonical SMILES for 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole is Cc1nc(C2CCC2)ncc1-c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1.
What is the InChIKey of 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole?
The InChIKey is SCRPPTWUOXHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O/c1-15-20(13-28-24(29-15)17-7-5-8-17)18-10-11-21-22(12-18)31(16(2)30-21)14-19-6-3-4-9-23(19)32-25(26)27/h3-4,6,9-13,17,25H,5,7-8,14H2,1-2H3.
What are the key properties of 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole?
6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole has a molecular weight of 434.49 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole is sourced from PubChem (CID 118108463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).