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

C25H24N4O3 — CID 46268899

IUPACN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
SMILESCOc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccccc1OC
InChIInChI=1S/C25H24N4O3/c1-31-22-10-6-3-7-18(22)25(30)27-20-12-11-17(15-23(20)32-2)28-13-14-29-21-9-5-4-8-19(21)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyZPKCJGUPCQBIFH-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.33
Rot. Bonds5

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

N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide (PubChem CID 46268899) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
PubChem CID46268899
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
SMILESCOc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccccc1OC
InChIInChI=1S/C25H24N4O3/c1-31-22-10-6-3-7-18(22)25(30)27-20-12-11-17(15-23(20)32-2)28-13-14-29-21-9-5-4-8-19(21)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyZPKCJGUPCQBIFH-UHFFFAOYSA-N
XLogP4.33
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
CID 50749480
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-fluorobenzamide
CID 46268862
4-methoxy-N-[2-methoxy-5-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]benzamide
CID 29136286
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 50749494
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide
CID 50749611
N-[4-(6-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 16764596
2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782341
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 50749798
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 50749431
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 50782404

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide (CID 46268899) is N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide is COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccccc1OC.
What is the InChIKey of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide?
The InChIKey is ZPKCJGUPCQBIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-22-10-6-3-7-18(22)25(30)27-20-12-11-17(15-23(20)32-2)28-13-14-29-21-9-5-4-8-19(21)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]-2-methoxybenzamide?
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-methoxybenzamide is sourced from PubChem (CID 46268899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).