3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one

C23H29N3O4 — CID 54026505

IUPAC3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1OCC(O)CN1CCCC(Cn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C23H29N3O4/c1-29-21-10-4-5-11-22(21)30-16-18(27)15-25-12-6-7-17(13-25)14-26-20-9-3-2-8-19(20)24-23(26)28/h2-5,8-11,17-18,27H,6-7,12-16H2,1H3,(H,24,28)
InChIKeyLCOCROGTXNILQL-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.49
Rot. Bonds8

About 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one

3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one (PubChem CID 54026505) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one
PubChem CID54026505
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1OCC(O)CN1CCCC(Cn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C23H29N3O4/c1-29-21-10-4-5-11-22(21)30-16-18(27)15-25-12-6-7-17(13-25)14-26-20-9-3-2-8-19(20)24-23(26)28/h2-5,8-11,17-18,27H,6-7,12-16H2,1H3,(H,24,28)
InChIKeyLCOCROGTXNILQL-UHFFFAOYSA-N
XLogP2.49
TPSA79.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-benzimidazol-2-one
CID 12972134
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
3-[[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]methyl]-1H-benzimidazol-2-one
CID 15585646
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
3-[1-[2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one;oxalic acid
CID 110168486
(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
CID 124888330
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one
CID 70573175
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one (CID 54026505) is 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one is COc1ccccc1OCC(O)CN1CCCC(Cn2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one?
The InChIKey is LCOCROGTXNILQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-21-10-4-5-11-22(21)30-16-18(27)15-25-12-6-7-17(13-25)14-26-20-9-3-2-8-19(20)24-23(26)28/h2-5,8-11,17-18,27H,6-7,12-16H2,1H3,(H,24,28).
What are the key properties of 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one?
3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one has a molecular weight of 411.50 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperidin-3-yl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 54026505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).