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

C24H21ClN4O — CID 50749276

IUPAC4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O/c1-16-6-11-19(14-21(16)27-24(30)17-7-9-18(25)10-8-17)28-12-13-29-22-5-3-2-4-20(22)26-23(29)15-28/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyDETDPENMBHKPHK-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.27
Rot. Bonds3

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

4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 50749276) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide
PubChem CID50749276
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O/c1-16-6-11-19(14-21(16)27-24(30)17-7-9-18(25)10-8-17)28-12-13-29-22-5-3-2-4-20(22)26-23(29)15-28/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyDETDPENMBHKPHK-UHFFFAOYSA-N
XLogP5.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide (CID 50749276) is 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide is Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide?
The InChIKey is DETDPENMBHKPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-16-6-11-19(14-21(16)27-24(30)17-7-9-18(25)10-8-17)28-12-13-29-22-5-3-2-4-20(22)26-23(29)15-28/h2-11,14H,12-13,15H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide?
4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 416.91 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 50749276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).