N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide

C25H24N4O — CID 50749494

IUPACN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2C)cc1
InChIInChI=1S/C25H24N4O/c1-17-7-10-19(11-8-17)25(30)27-22-15-20(12-9-18(22)2)28-13-14-29-23-6-4-3-5-21(23)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyVXBGHOWEIXBGBC-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.93
Rot. Bonds3

About N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide

N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide (PubChem CID 50749494) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide
PubChem CID50749494
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2C)cc1
InChIInChI=1S/C25H24N4O/c1-17-7-10-19(11-8-17)25(30)27-22-15-20(12-9-18(22)2)28-13-14-29-23-6-4-3-5-21(23)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyVXBGHOWEIXBGBC-UHFFFAOYSA-N
XLogP4.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide
CID 50749276
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
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 50749429
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 50749431
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-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 46268899
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 46268849
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
CID 45491338

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
The IUPAC name of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide (CID 50749494) is N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2C)cc1.
What is the InChIKey of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
The InChIKey is VXBGHOWEIXBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17-7-10-19(11-8-17)25(30)27-22-15-20(12-9-18(22)2)28-13-14-29-23-6-4-3-5-21(23)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 50749494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).