2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

C27H28N4O3 — CID 25059296

IUPAC2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3Cc4ccc(O)c5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H28N4O3/c1-28-25(33)16-30-21-7-2-3-8-22(21)31(27(30)34)18-11-13-29(14-12-18)23-15-17-9-10-24(32)20-6-4-5-19(23)26(17)20/h2-10,18,23,32H,11-16H2,1H3,(H,28,33)
InChIKeyKNVUXCQGUMNALF-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.34
Rot. Bonds4

About 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 25059296) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID25059296
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3Cc4ccc(O)c5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H28N4O3/c1-28-25(33)16-30-21-7-2-3-8-22(21)31(27(30)34)18-11-13-29(14-12-18)23-15-17-9-10-24(32)20-6-4-5-19(23)26(17)20/h2-10,18,23,32H,11-16H2,1H3,(H,28,33)
InChIKeyKNVUXCQGUMNALF-UHFFFAOYSA-N
XLogP3.34
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 25059295
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-(5-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322995
2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322913
2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide
CID 59323001
1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one
CID 59322987
[(1R)-1-[3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-2-(methylamino)-2-oxoethyl] methanesulfonate
CID 87281280
2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 68703904
3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 10309214
tert-butyl 4-[3-(3-bromopropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 71650694
1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one
CID 123464550
amino 4-[4-(3-butyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 142929776

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 25059296) is 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3Cc4ccc(O)c5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is KNVUXCQGUMNALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-28-25(33)16-30-21-7-2-3-8-22(21)31(27(30)34)18-11-13-29(14-12-18)23-15-17-9-10-24(32)20-6-4-5-19(23)26(17)20/h2-10,18,23,32H,11-16H2,1H3,(H,28,33).
What are the key properties of 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 456.55 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 25059296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).