N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide

C24H27F3N4O4 — CID 10163555

IUPACN-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C24H27F3N4O4/c1-15(32)28-19-4-2-3-5-22(19)35-14-18(33)13-30-10-8-17(9-11-30)31-21-7-6-16(24(25,26)27)12-20(21)29-23(31)34/h2-7,12,17-18,33H,8-11,13-14H2,1H3,(H,28,32)(H,29,34)
InChIKeyDOTZNWBRISOBSN-UHFFFAOYSA-N
MW492.50 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide

N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide (PubChem CID 10163555) has the molecular formula C24H27F3N4O4 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide
PubChem CID10163555
Molecular FormulaC24H27F3N4O4
Molecular Weight492.50 g/mol
Exact Mass492.20
IUPAC NameN-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C24H27F3N4O4/c1-15(32)28-19-4-2-3-5-22(19)35-14-18(33)13-30-10-8-17(9-11-30)31-21-7-6-16(24(25,26)27)12-20(21)29-23(31)34/h2-7,12,17-18,33H,8-11,13-14H2,1H3,(H,28,32)(H,29,34)
InChIKeyDOTZNWBRISOBSN-UHFFFAOYSA-N
XLogP3.38
TPSA99.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide (CID 10163555) is N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is DOTZNWBRISOBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4/c1-15(32)28-19-4-2-3-5-22(19)35-14-18(33)13-30-10-8-17(9-11-30)31-21-7-6-16(24(25,26)27)12-20(21)29-23(31)34/h2-7,12,17-18,33H,8-11,13-14H2,1H3,(H,28,32)(H,29,34).
What are the key properties of N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide?
N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 492.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxy-3-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 10163555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).