2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide

C24H25F3N4O4 — CID 87950996

IUPAC2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide
SMILESO=C(C(COCc1ccccc1)NC(=O)C(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H25F3N4O4/c25-24(26,27)22(33)28-19(15-35-14-16-6-2-1-3-7-16)21(32)30-12-10-17(11-13-30)31-20-9-5-4-8-18(20)29-23(31)34/h1-9,17,19H,10-15H2,(H,28,33)(H,29,34)
InChIKeyALZPZBJUDPTKIN-UHFFFAOYSA-N
MW490.48 g/mol
LogP2.76
Rot. Bonds7

About 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide

2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide (PubChem CID 87950996) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide
PubChem CID87950996
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC Name2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide
SMILESO=C(C(COCc1ccccc1)NC(=O)C(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H25F3N4O4/c25-24(26,27)22(33)28-19(15-35-14-16-6-2-1-3-7-16)21(32)30-12-10-17(11-13-30)31-20-9-5-4-8-18(20)29-23(31)34/h1-9,17,19H,10-15H2,(H,28,33)(H,29,34)
InChIKeyALZPZBJUDPTKIN-UHFFFAOYSA-N
XLogP2.76
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide (CID 87950996) is 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide is O=C(C(COCc1ccccc1)NC(=O)C(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide?
The InChIKey is ALZPZBJUDPTKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c25-24(26,27)22(33)28-19(15-35-14-16-6-2-1-3-7-16)21(32)30-12-10-17(11-13-30)31-20-9-5-4-8-18(20)29-23(31)34/h1-9,17,19H,10-15H2,(H,28,33)(H,29,34).
What are the key properties of 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide has a molecular weight of 490.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]acetamide is sourced from PubChem (CID 87950996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).