N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide

C25H24N4O2 — CID 46268898

IUPACN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
SMILESCOc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24N4O2/c1-17-7-9-18(10-8-17)25(30)27-21-12-11-19(15-23(21)31-2)28-13-14-29-22-6-4-3-5-20(22)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyZZDKSHUQFNKQDJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.63
Rot. Bonds4

About N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide

N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide (PubChem CID 46268898) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
PubChem CID46268898
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
SMILESCOc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24N4O2/c1-17-7-9-18(10-8-17)25(30)27-21-12-11-19(15-23(21)31-2)28-13-14-29-22-6-4-3-5-20(22)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyZZDKSHUQFNKQDJ-UHFFFAOYSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide (CID 46268898) is N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide is COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
The InChIKey is ZZDKSHUQFNKQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-7-9-18(10-8-17)25(30)27-21-12-11-19(15-23(21)31-2)28-13-14-29-22-6-4-3-5-20(22)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 46268898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).