3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide

C26H34N4O4 — CID 67368075

IUPAC3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide
SMILESCCn1c(=O)n(C(=O)NCC2CCN(CC(O)COc3ccccc3C)CC2)c2ccccc21
InChIInChI=1S/C26H34N4O4/c1-3-29-22-9-5-6-10-23(22)30(26(29)33)25(32)27-16-20-12-14-28(15-13-20)17-21(31)18-34-24-11-7-4-8-19(24)2/h4-11,20-21,31H,3,12-18H2,1-2H3,(H,27,32)
InChIKeyFJCKPWVZISXLEC-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.84
Rot. Bonds8

About 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide

3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide (PubChem CID 67368075) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide
PubChem CID67368075
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide
SMILESCCn1c(=O)n(C(=O)NCC2CCN(CC(O)COc3ccccc3C)CC2)c2ccccc21
InChIInChI=1S/C26H34N4O4/c1-3-29-22-9-5-6-10-23(22)30(26(29)33)25(32)27-16-20-12-14-28(15-13-20)17-21(31)18-34-24-11-7-4-8-19(24)2/h4-11,20-21,31H,3,12-18H2,1-2H3,(H,27,32)
InChIKeyFJCKPWVZISXLEC-UHFFFAOYSA-N
XLogP2.84
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide with MolForge

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Related Compounds

[1-(4-chlorophenoxy)-3-[4-[[(3-ethyl-2-oxobenzimidazole-1-carbonyl)amino]methyl]piperidin-1-yl]propan-2-yl]carbamic acid;hydrochloride
CID 68587886
N-[[1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 68586454
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
1-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-3-ethylbenzimidazol-2-one
CID 52566018
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 110900539

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide (CID 67368075) is 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide is CCn1c(=O)n(C(=O)NCC2CCN(CC(O)COc3ccccc3C)CC2)c2ccccc21.
What is the InChIKey of 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide?
The InChIKey is FJCKPWVZISXLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-3-29-22-9-5-6-10-23(22)30(26(29)33)25(32)27-16-20-12-14-28(15-13-20)17-21(31)18-34-24-11-7-4-8-19(24)2/h4-11,20-21,31H,3,12-18H2,1-2H3,(H,27,32).
What are the key properties of 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide?
3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 67368075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).