5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one

C20H26F3N3O2 — CID 24781004

IUPAC5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCC(OC(F)(F)F)CC4)CC3)c2c1
InChIInChI=1S/C20H26F3N3O2/c1-13-2-7-17-18(12-13)26(19(27)24-17)15-8-10-25(11-9-15)14-3-5-16(6-4-14)28-20(21,22)23/h2,7,12,14-16H,3-6,8-11H2,1H3,(H,24,27)
InChIKeyIFJIUSZEIAMMHJ-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.12
Rot. Bonds3

About 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one

5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24781004) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24781004
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCC(OC(F)(F)F)CC4)CC3)c2c1
InChIInChI=1S/C20H26F3N3O2/c1-13-2-7-17-18(12-13)26(19(27)24-17)15-8-10-25(11-9-15)14-3-5-16(6-4-14)28-20(21,22)23/h2,7,12,14-16H,3-6,8-11H2,1H3,(H,24,27)
InChIKeyIFJIUSZEIAMMHJ-UHFFFAOYSA-N
XLogP4.12
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 24781004) is 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(C3CCN(C4CCC(OC(F)(F)F)CC4)CC3)c2c1.
What is the InChIKey of 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is IFJIUSZEIAMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-13-2-7-17-18(12-13)26(19(27)24-17)15-8-10-25(11-9-15)14-3-5-16(6-4-14)28-20(21,22)23/h2,7,12,14-16H,3-6,8-11H2,1H3,(H,24,27).
What are the key properties of 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 397.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[4-(trifluoromethoxy)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24781004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).