4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide

C22H20F6N4O2 — CID 155234174

IUPAC4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3cccc(C(F)(F)F)c32)CC1
InChIInChI=1S/C22H20F6N4O2/c23-21(24,25)12-13-4-6-14(7-5-13)29-19(33)31-10-8-15(9-11-31)32-18-16(22(26,27)28)2-1-3-17(18)30-20(32)34/h1-7,15H,8-12H2,(H,29,33)(H,30,34)
InChIKeyKANLBRNNQQVUOK-UHFFFAOYSA-N
MW486.42 g/mol
LogP5.32
Rot. Bonds3

About 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide

4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide (PubChem CID 155234174) has the molecular formula C22H20F6N4O2 and a molecular weight of 486.42 g/mol. Its IUPAC name is 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide
PubChem CID155234174
Molecular FormulaC22H20F6N4O2
Molecular Weight486.42 g/mol
Exact Mass486.15
IUPAC Name4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3cccc(C(F)(F)F)c32)CC1
InChIInChI=1S/C22H20F6N4O2/c23-21(24,25)12-13-4-6-14(7-5-13)29-19(33)31-10-8-15(9-11-31)32-18-16(22(26,27)28)2-1-3-17(18)30-20(32)34/h1-7,15H,8-12H2,(H,29,33)(H,30,34)
InChIKeyKANLBRNNQQVUOK-UHFFFAOYSA-N
XLogP5.32
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.42
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 155233968
3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 167034693
N-(4-acetylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735688
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 3835544
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55462661
3-[4-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylic acid
CID 71153777
3-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208817
N-(2-methylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 20605984
4-(2-oxo-3H-benzimidazol-1-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-1-carboxamide
CID 112834980
3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 170692703
3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209076

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide (CID 155234174) is 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3cccc(C(F)(F)F)c32)CC1.
What is the InChIKey of 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KANLBRNNQQVUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N4O2/c23-21(24,25)12-13-4-6-14(7-5-13)29-19(33)31-10-8-15(9-11-31)32-18-16(22(26,27)28)2-1-3-17(18)30-20(32)34/h1-7,15H,8-12H2,(H,29,33)(H,30,34).
What are the key properties of 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide?
4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 486.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 155234174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).