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

C24H22N4O2 — CID 46268824

IUPACN-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C24H22N4O2/c1-30-22-12-5-2-9-19(22)24(29)25-17-7-6-8-18(15-17)27-13-14-28-21-11-4-3-10-20(21)26-23(28)16-27/h2-12,15H,13-14,16H2,1H3,(H,25,29)
InChIKeyUIAJSHSTKOWXNQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.32
Rot. Bonds4

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

N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 46268824) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
PubChem CID46268824
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C24H22N4O2/c1-30-22-12-5-2-9-19(22)24(29)25-17-7-6-8-18(15-17)27-13-14-28-21-11-4-3-10-20(21)26-23(28)16-27/h2-12,15H,13-14,16H2,1H3,(H,25,29)
InChIKeyUIAJSHSTKOWXNQ-UHFFFAOYSA-N
XLogP4.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 46268899
1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
CID 46268832
2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
CID 45491338
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
CID 50749480
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 667164
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-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-fluorobenzamide
CID 46268862
2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748020
N-[3-[4-(2-indol-1-ylethylamino)piperidin-1-yl]phenyl]-2-methoxybenzamide
CID 26340701
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 50749429
2-methoxy-N-[3-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide
CID 42481674

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide (CID 46268824) is N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is UIAJSHSTKOWXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-22-12-5-2-9-19(22)24(29)25-17-7-6-8-18(15-17)27-13-14-28-21-11-4-3-10-20(21)26-23(28)16-27/h2-12,15H,13-14,16H2,1H3,(H,25,29).
What are the key properties of N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide?
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 398.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 46268824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).