3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C20H22ClN3O2 — CID 110168464

IUPAC3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-15-7-5-14(6-8-15)19(25)13-23-11-9-16(10-12-23)24-18-4-2-1-3-17(18)22-20(24)26/h1-8,16,19,25H,9-13H2,(H,22,26)
InChIKeyZWEOEMDRODVUND-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.35
Rot. Bonds4

About 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 110168464) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID110168464
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-15-7-5-14(6-8-15)19(25)13-23-11-9-16(10-12-23)24-18-4-2-1-3-17(18)22-20(24)26/h1-8,16,19,25H,9-13H2,(H,22,26)
InChIKeyZWEOEMDRODVUND-UHFFFAOYSA-N
XLogP3.35
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
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3-[1-[2-(3,4-dihydro-2H-thiochromen-6-yl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
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
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
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2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
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3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
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3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58160538
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 92968130
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 110168464) is 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ZWEOEMDRODVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-15-7-5-14(6-8-15)19(25)13-23-11-9-16(10-12-23)24-18-4-2-1-3-17(18)22-20(24)26/h1-8,16,19,25H,9-13H2,(H,22,26).
What are the key properties of 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 371.87 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110168464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).