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

C28H30N4O3 — CID 25059295

IUPAC2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3Cc4ccc(OC)c5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C28H30N4O3/c1-29-26(33)17-31-22-8-3-4-9-23(22)32(28(31)34)19-12-14-30(15-13-19)24-16-18-10-11-25(35-2)21-7-5-6-20(24)27(18)21/h3-11,19,24H,12-17H2,1-2H3,(H,29,33)
InChIKeyGBRCUJBNQMRNMS-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.65
Rot. Bonds5

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

2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 25059295) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID25059295
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3Cc4ccc(OC)c5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C28H30N4O3/c1-29-26(33)17-31-22-8-3-4-9-23(22)32(28(31)34)19-12-14-30(15-13-19)24-16-18-10-11-25(35-2)21-7-5-6-20(24)27(18)21/h3-11,19,24H,12-17H2,1-2H3,(H,29,33)
InChIKeyGBRCUJBNQMRNMS-UHFFFAOYSA-N
XLogP3.65
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 25059295) is 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3Cc4ccc(OC)c5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is GBRCUJBNQMRNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-29-26(33)17-31-22-8-3-4-9-23(22)32(28(31)34)19-12-14-30(15-13-19)24-16-18-10-11-25(35-2)21-7-5-6-20(24)27(18)21/h3-11,19,24H,12-17H2,1-2H3,(H,29,33).
What are the key properties of 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 470.57 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 25059295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).