2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide

C28H34N4O2 — CID 59323001

IUPAC2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)n(C2CCN(C3CC4CCCc5cccc3c54)CC2)c2ccccc21
InChIInChI=1S/C28H34N4O2/c1-2-29-26(33)18-31-23-11-3-4-12-24(23)32(28(31)34)21-13-15-30(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)27(19)20/h3-4,6,8,10-12,20-21,25H,2,5,7,9,13-18H2,1H3,(H,29,33)
InChIKeyPWUIXZZGXVJZDN-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.14
Rot. Bonds5

About 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide

2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide (PubChem CID 59323001) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide
PubChem CID59323001
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)n(C2CCN(C3CC4CCCc5cccc3c54)CC2)c2ccccc21
InChIInChI=1S/C28H34N4O2/c1-2-29-26(33)18-31-23-11-3-4-12-24(23)32(28(31)34)21-13-15-30(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)27(19)20/h3-4,6,8,10-12,20-21,25H,2,5,7,9,13-18H2,1H3,(H,29,33)
InChIKeyPWUIXZZGXVJZDN-UHFFFAOYSA-N
XLogP4.14
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[1-(5-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322995
1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one
CID 59322987
2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 25059296
2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 68700743
2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322913
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 25059295
8-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 18782446
1-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-one
CID 10849602
N-ethyl-2-[4-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 94797188
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 68703904

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide (CID 59323001) is 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1c(=O)n(C2CCN(C3CC4CCCc5cccc3c54)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide?
The InChIKey is PWUIXZZGXVJZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-2-29-26(33)18-31-23-11-3-4-12-24(23)32(28(31)34)21-13-15-30(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)27(19)20/h3-4,6,8,10-12,20-21,25H,2,5,7,9,13-18H2,1H3,(H,29,33).
What are the key properties of 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide?
2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide has a molecular weight of 458.61 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 59323001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).