3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one

C24H28N4O3 — CID 139001632

IUPAC3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCc1ccnc(OC2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-16-8-11-25-22(14-16)31-19-9-12-27(13-10-19)23(29)17-6-7-21-20(15-17)26-24(30)28(21)18-4-2-3-5-18/h6-8,11,14-15,18-19H,2-5,9-10,12-13H2,1H3,(H,26,30)
InChIKeyJUUGQSNFUHLCRN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.83
Rot. Bonds4

About 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one

3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one (PubChem CID 139001632) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
PubChem CID139001632
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCc1ccnc(OC2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-16-8-11-25-22(14-16)31-19-9-12-27(13-10-19)23(29)17-6-7-21-20(15-17)26-24(30)28(21)18-4-2-3-5-18/h6-8,11,14-15,18-19H,2-5,9-10,12-13H2,1H3,(H,26,30)
InChIKeyJUUGQSNFUHLCRN-UHFFFAOYSA-N
XLogP3.83
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
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-cyclopentyl-6-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carbonyl]-1H-benzimidazol-2-one
CID 138994772
6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968064
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-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139012625
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
2-cyclopentyloxy-4-methylpyridine
CID 18779821
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one (CID 139001632) is 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one is Cc1ccnc(OC2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)CC2)c1.
What is the InChIKey of 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The InChIKey is JUUGQSNFUHLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-8-11-25-22(14-16)31-19-9-12-27(13-10-19)23(29)17-6-7-21-20(15-17)26-24(30)28(21)18-4-2-3-5-18/h6-8,11,14-15,18-19H,2-5,9-10,12-13H2,1H3,(H,26,30).
What are the key properties of 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one?
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 139001632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).