N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide

C25H23ClN4O3 — CID 50749849

IUPACN-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1
InChIInChI=1S/C25H23ClN4O3/c1-32-22-7-2-3-8-23(22)33-16-25(31)27-18-5-4-6-19(14-18)29-11-12-30-21-10-9-17(26)13-20(21)28-24(30)15-29/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,31)
InChIKeyHMYFBEWYDNPTOQ-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.74
Rot. Bonds6

About N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide

N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 50749849) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID50749849
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1
InChIInChI=1S/C25H23ClN4O3/c1-32-22-7-2-3-8-23(22)33-16-25(31)27-18-5-4-6-19(14-18)29-11-12-30-21-10-9-17(26)13-20(21)28-24(30)15-29/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,31)
InChIKeyHMYFBEWYDNPTOQ-UHFFFAOYSA-N
XLogP4.74
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide (CID 50749849) is N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1.
What is the InChIKey of N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is HMYFBEWYDNPTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-32-22-7-2-3-8-23(22)33-16-25(31)27-18-5-4-6-19(14-18)29-11-12-30-21-10-9-17(26)13-20(21)28-24(30)15-29/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,31).
What are the key properties of N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 462.94 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 50749849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).