3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one

C24H25N3O2 — CID 12915864

IUPAC3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(19-10-9-17-5-1-2-6-18(17)15-19)16-26-13-11-20(12-14-26)27-22-8-4-3-7-21(22)25-24(27)29/h1-10,15,20,23,28H,11-14,16H2,(H,25,29)
InChIKeyBUQTUGOEYFXDCP-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.85
Rot. Bonds4

About 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 12915864) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID12915864
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(19-10-9-17-5-1-2-6-18(17)15-19)16-26-13-11-20(12-14-26)27-22-8-4-3-7-21(22)25-24(27)29/h1-10,15,20,23,28H,11-14,16H2,(H,25,29)
InChIKeyBUQTUGOEYFXDCP-UHFFFAOYSA-N
XLogP3.85
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 110168464
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CID 21281819
[4-[(1S)-1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 102438051
N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470148
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126785090
3-[1-[4-(4-chlorophenyl)-2-hydroxybutyl]piperidin-4-yl]-1H-benzimidazol-2-one
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3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
6-bromo-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 158668176
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 25105713
N-[(2S)-1-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 12915864) is 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is BUQTUGOEYFXDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(19-10-9-17-5-1-2-6-18(17)15-19)16-26-13-11-20(12-14-26)27-22-8-4-3-7-21(22)25-24(27)29/h1-10,15,20,23,28H,11-14,16H2,(H,25,29).
What are the key properties of 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 387.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 12915864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).