3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

C20H24F3N3O3 — CID 139012625

IUPAC3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCOC1(C(F)(F)F)CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1
InChIInChI=1S/C20H24F3N3O3/c1-29-19(20(21,22)23)9-4-10-25(12-19)17(27)13-7-8-16-15(11-13)24-18(28)26(16)14-5-2-3-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,24,28)
InChIKeyCBQDQKDMYIDGAT-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.63
Rot. Bonds3

About 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (PubChem CID 139012625) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
PubChem CID139012625
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCOC1(C(F)(F)F)CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1
InChIInChI=1S/C20H24F3N3O3/c1-29-19(20(21,22)23)9-4-10-25(12-19)17(27)13-7-8-16-15(11-13)24-18(28)26(16)14-5-2-3-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,24,28)
InChIKeyCBQDQKDMYIDGAT-UHFFFAOYSA-N
XLogP3.63
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139001632
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 120747294
1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 136522609
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (CID 139012625) is 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is COC1(C(F)(F)F)CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The InChIKey is CBQDQKDMYIDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-29-19(20(21,22)23)9-4-10-25(12-19)17(27)13-7-8-16-15(11-13)24-18(28)26(16)14-5-2-3-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,24,28).
What are the key properties of 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one has a molecular weight of 411.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 139012625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).