2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

C27H30N4O3 — CID 46880239

IUPAC2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C27H30N4O3/c1-28-26(32)18-30-23-9-5-6-10-24(23)31(27(30)33)20-13-15-29(16-14-20)17-19-11-12-25(34-2)22-8-4-3-7-21(19)22/h3-12,20H,13-18H2,1-2H3,(H,28,32)
InChIKeyQHRDUVAHHMAWAI-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.55
Rot. Bonds6

About 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 46880239) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID46880239
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C27H30N4O3/c1-28-26(32)18-30-23-9-5-6-10-24(23)31(27(30)33)20-13-15-29(16-14-20)17-19-11-12-25(34-2)22-8-4-3-7-21(19)22/h3-12,20H,13-18H2,1-2H3,(H,28,32)
InChIKeyQHRDUVAHHMAWAI-UHFFFAOYSA-N
XLogP3.55
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 46880239) is 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is QHRDUVAHHMAWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-28-26(32)18-30-23-9-5-6-10-24(23)31(27(30)33)20-13-15-29(16-14-20)17-19-11-12-25(34-2)22-8-4-3-7-21(19)22/h3-12,20H,13-18H2,1-2H3,(H,28,32).
What are the key properties of 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 458.56 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 46880239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).