3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C21H25N3O3 — CID 141215819

IUPAC3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCOc1cc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1O
InChIInChI=1S/C21H25N3O3/c1-2-27-20-13-15(7-8-19(20)25)14-23-11-9-16(10-12-23)24-18-6-4-3-5-17(18)22-21(24)26/h3-8,13,16,25H,2,9-12,14H2,1H3,(H,22,26)
InChIKeyUPCYQNPPGPNVAW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.27
Rot. Bonds5

About 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 141215819) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID141215819
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCOc1cc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1O
InChIInChI=1S/C21H25N3O3/c1-2-27-20-13-15(7-8-19(20)25)14-23-11-9-16(10-12-23)24-18-6-4-3-5-17(18)22-21(24)26/h3-8,13,16,25H,2,9-12,14H2,1H3,(H,22,26)
InChIKeyUPCYQNPPGPNVAW-UHFFFAOYSA-N
XLogP3.27
TPSA70.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3,5-diethoxy-4-ethoxycarbonylphenyl)methyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 25069992
3-[1-[2-(3,4-dihydroxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrobromide
CID 12811312
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid
CID 131935846
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 87014914
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 141215819) is 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCOc1cc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1O.
What is the InChIKey of 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is UPCYQNPPGPNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-20-13-15(7-8-19(20)25)14-23-11-9-16(10-12-23)24-18-6-4-3-5-17(18)22-21(24)26/h3-8,13,16,25H,2,9-12,14H2,1H3,(H,22,26).
What are the key properties of 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 367.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 141215819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).