3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one

C25H23F3N4O2 — CID 170692703

IUPAC3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCc1ccc2cc(CC(=O)C3CC(n4c(=O)[nH]c5cccc(C(F)(F)F)c54)CCN3)ccc2n1
InChIInChI=1S/C25H23F3N4O2/c1-14-5-7-16-11-15(6-8-19(16)30-14)12-22(33)21-13-17(9-10-29-21)32-23-18(25(26,27)28)3-2-4-20(23)31-24(32)34/h2-8,11,17,21,29H,9-10,12-13H2,1H3,(H,31,34)
InChIKeyOYUDQXHNQUBQHJ-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.31
Rot. Bonds4

About 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one

3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 170692703) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID170692703
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCc1ccc2cc(CC(=O)C3CC(n4c(=O)[nH]c5cccc(C(F)(F)F)c54)CCN3)ccc2n1
InChIInChI=1S/C25H23F3N4O2/c1-14-5-7-16-11-15(6-8-19(16)30-14)12-22(33)21-13-17(9-10-29-21)32-23-18(25(26,27)28)3-2-4-20(23)31-24(32)34/h2-8,11,17,21,29H,9-10,12-13H2,1H3,(H,31,34)
InChIKeyOYUDQXHNQUBQHJ-UHFFFAOYSA-N
XLogP4.31
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 155233968
4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide
CID 155234174
3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 167034693
1-[(2S)-azetidin-2-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 162264563
3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209076
N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
CID 155248372
4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
3-(2-hydroxyphenyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209194
3-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262139
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844613
3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one
CID 22928768

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one (CID 170692703) is 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one is Cc1ccc2cc(CC(=O)C3CC(n4c(=O)[nH]c5cccc(C(F)(F)F)c54)CCN3)ccc2n1.
What is the InChIKey of 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is OYUDQXHNQUBQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-14-5-7-16-11-15(6-8-19(16)30-14)12-22(33)21-13-17(9-10-29-21)32-23-18(25(26,27)28)3-2-4-20(23)31-24(32)34/h2-8,11,17,21,29H,9-10,12-13H2,1H3,(H,31,34).
What are the key properties of 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 468.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 170692703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).