4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one

C27H27F3N4O3 — CID 175344233

IUPAC4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
SMILESCOc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2C1CCN(c2ccccn2)CC1OC
InChIInChI=1S/C27H27F3N4O3/c1-36-22-11-7-10-21-25(22)33(16-18-8-3-4-9-19(18)27(28,29)30)26(35)34(21)20-13-15-32(17-23(20)37-2)24-12-5-6-14-31-24/h3-12,14,20,23H,13,15-17H2,1-2H3
InChIKeyJNMVOVXVSUFHON-UHFFFAOYSA-N
MW512.53 g/mol
LogP4.74
Rot. Bonds6

About 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one

4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one (PubChem CID 175344233) has the molecular formula C27H27F3N4O3 and a molecular weight of 512.53 g/mol. Its IUPAC name is 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
PubChem CID175344233
Molecular FormulaC27H27F3N4O3
Molecular Weight512.53 g/mol
Exact Mass512.20
IUPAC Name4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
SMILESCOc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2C1CCN(c2ccccn2)CC1OC
InChIInChI=1S/C27H27F3N4O3/c1-36-22-11-7-10-21-25(22)33(16-18-8-3-4-9-19(18)27(28,29)30)26(35)34(21)20-13-15-32(17-23(20)37-2)24-12-5-6-14-31-24/h3-12,14,20,23H,13,15-17H2,1-2H3
InChIKeyJNMVOVXVSUFHON-UHFFFAOYSA-N
XLogP4.74
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(2,6-dimethylphenyl)piperidin-4-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 142623776
4-methoxy-1-[1-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 155253732
1-[1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 139332235
1-[1-(2-fluoro-6-methylphenyl)-4-methylpyrrolidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 155253658
1-[1-(2-fluoro-6-methylphenyl)piperidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 139331605
1-[1-[2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-fluorophenyl]pyrrolidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 139329846
1-[(3R)-1-[2-fluoro-6-[1-(3-methoxyazetidin-1-yl)ethyl]phenyl]pyrrolidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 151044192
1-[(3R)-1-[2-fluoro-6-[(1-methoxypropan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 142623717
1-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one
CID 139333917
1-[(3R)-1-[2-fluoro-6-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-3-yl]-4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 142623704
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one
CID 142623750
1-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-4-methoxy-3-[[2-(oxetan-3-yloxy)phenyl]methyl]benzimidazol-2-one
CID 142623799

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one?
The IUPAC name of 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one (CID 175344233) is 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one.
What is the SMILES notation for 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one?
The canonical SMILES for 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one is COc1cccc2c1n(Cc1ccccc1C(F)(F)F)c(=O)n2C1CCN(c2ccccn2)CC1OC.
What is the InChIKey of 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one?
The InChIKey is JNMVOVXVSUFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O3/c1-36-22-11-7-10-21-25(22)33(16-18-8-3-4-9-19(18)27(28,29)30)26(35)34(21)20-13-15-32(17-23(20)37-2)24-12-5-6-14-31-24/h3-12,14,20,23H,13,15-17H2,1-2H3.
What are the key properties of 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one?
4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one has a molecular weight of 512.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methoxy-1-pyridin-2-ylpiperidin-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one is sourced from PubChem (CID 175344233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).