1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one

C25H26F3N5O — CID 121379935

IUPAC1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(n2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C25H26F3N5O/c1-16-20(30-23(29-16)17-7-9-18(10-8-17)25(26,27)28)15-32-13-11-19(12-14-32)33-22-6-4-3-5-21(22)31(2)24(33)34/h3-10,19H,11-15H2,1-2H3,(H,29,30)
InChIKeyGGYXPENBMYACGC-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.89
Rot. Bonds4

About 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one

1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one (PubChem CID 121379935) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one
PubChem CID121379935
Molecular FormulaC25H26F3N5O
Molecular Weight469.51 g/mol
Exact Mass469.21
IUPAC Name1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(n2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C25H26F3N5O/c1-16-20(30-23(29-16)17-7-9-18(10-8-17)25(26,27)28)15-32-13-11-19(12-14-32)33-22-6-4-3-5-21(22)31(2)24(33)34/h3-10,19H,11-15H2,1-2H3,(H,29,30)
InChIKeyGGYXPENBMYACGC-UHFFFAOYSA-N
XLogP4.89
TPSA58.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one (CID 121379935) is 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one is Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(n2c(=O)n(C)c3ccccc32)CC1.
What is the InChIKey of 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one?
The InChIKey is GGYXPENBMYACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-16-20(30-23(29-16)17-7-9-18(10-8-17)25(26,27)28)15-32-13-11-19(12-14-32)33-22-6-4-3-5-21(22)31(2)24(33)34/h3-10,19H,11-15H2,1-2H3,(H,29,30).
What are the key properties of 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one?
1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one has a molecular weight of 469.51 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 121379935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).