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

C24H24F3N5O — CID 130423895

IUPAC3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H24F3N5O/c1-15-20(29-22(28-15)16-6-8-17(9-7-16)24(25,26)27)14-31-12-10-18(11-13-31)32-21-5-3-2-4-19(21)30-23(32)33/h2-9,18H,10-14H2,1H3,(H,28,29)(H,30,33)
InChIKeySXDRQVHKMIRFIS-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.88
Rot. Bonds4

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

3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 130423895) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID130423895
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H24F3N5O/c1-15-20(29-22(28-15)16-6-8-17(9-7-16)24(25,26)27)14-31-12-10-18(11-13-31)32-21-5-3-2-4-19(21)30-23(32)33/h2-9,18H,10-14H2,1H3,(H,28,29)(H,30,33)
InChIKeySXDRQVHKMIRFIS-UHFFFAOYSA-N
XLogP4.88
TPSA69.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Glasdegib
CID 25166913
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896
1,3-diethyl-5-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581385
1,3-diethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581392
1,3-diethyl-5-(4-phenyl-1H-imidazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581397
5-[6-amino-2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647077
1,3-diethyl-5-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647078
N-[2-[cyclopentyl(methyl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143495
N-[2-[cyclohexyl(methyl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143496
N-[2-[(1-acetylpyrrolidin-3-yl)-methylamino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143498
N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143499
N-[2-[cyclohexyl(ethyl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143500

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 130423895) is 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SXDRQVHKMIRFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-15-20(29-22(28-15)16-6-8-17(9-7-16)24(25,26)27)14-31-12-10-18(11-13-31)32-21-5-3-2-4-19(21)30-23(32)33/h2-9,18H,10-14H2,1H3,(H,28,29)(H,30,33).
What are the key properties of 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 455.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 130423895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).