3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one

C24H20ClF3N4O2 — CID 167034693

IUPAC3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=C(Cc1ccc2ncccc2c1Cl)N1CCC(n2c(=O)[nH]c3cccc(C(F)(F)F)c32)CC1
InChIInChI=1S/C24H20ClF3N4O2/c25-21-14(6-7-18-16(21)3-2-10-29-18)13-20(33)31-11-8-15(9-12-31)32-22-17(24(26,27)28)4-1-5-19(22)30-23(32)34/h1-7,10,15H,8-9,11-13H2,(H,30,34)
InChIKeyFPCHACNPBMIQQZ-UHFFFAOYSA-N
MW488.90 g/mol
LogP4.96
Rot. Bonds3

About 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one

3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 167034693) has the molecular formula C24H20ClF3N4O2 and a molecular weight of 488.90 g/mol. Its IUPAC name is 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID167034693
Molecular FormulaC24H20ClF3N4O2
Molecular Weight488.90 g/mol
Exact Mass488.12
IUPAC Name3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=C(Cc1ccc2ncccc2c1Cl)N1CCC(n2c(=O)[nH]c3cccc(C(F)(F)F)c32)CC1
InChIInChI=1S/C24H20ClF3N4O2/c25-21-14(6-7-18-16(21)3-2-10-29-18)13-20(33)31-11-8-15(9-12-31)32-22-17(24(26,27)28)4-1-5-19(22)30-23(32)34/h1-7,10,15H,8-9,11-13H2,(H,30,34)
InChIKeyFPCHACNPBMIQQZ-UHFFFAOYSA-N
XLogP4.96
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.90
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-[2-oxo-7-(trifluoromethyl)-3H-benzimidazol-1-yl]-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carboxamide
CID 155234174
N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
CID 155248372
3-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119104615
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55462661
2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
CID 155672294
3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 136560318
3-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 60504562
3-[2-[2-(2-methylquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 170692703
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618
1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234309
methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
CID 163491141

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one (CID 167034693) is 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one is O=C(Cc1ccc2ncccc2c1Cl)N1CCC(n2c(=O)[nH]c3cccc(C(F)(F)F)c32)CC1.
What is the InChIKey of 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is FPCHACNPBMIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O2/c25-21-14(6-7-18-16(21)3-2-10-29-18)13-20(33)31-11-8-15(9-12-31)32-22-17(24(26,27)28)4-1-5-19(22)30-23(32)34/h1-7,10,15H,8-9,11-13H2,(H,30,34).
What are the key properties of 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one?
3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 488.90 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 167034693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).