4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide

C39H34N12O2 — CID 146432635

IUPAC4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H18N6O.C19H16N6O/c1-13-23-16-5-3-4-6-17(16)26(13)19-12-22-11-18(25-19)24-15-9-7-14(8-10-15)20(27)21-2;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26/h3-12H,1-2H3,(H,21,27)(H,24,25);2-11H,1H3,(H2,20,26)(H,23,24)
InChIKeyZBFFXLUEZSJDAC-UHFFFAOYSA-N
MW702.78 g/mol
LogP6.19
Rot. Bonds8

About 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide

4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide (PubChem CID 146432635) has the molecular formula C39H34N12O2 and a molecular weight of 702.78 g/mol. Its IUPAC name is 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide
PubChem CID146432635
Molecular FormulaC39H34N12O2
Molecular Weight702.78 g/mol
Exact Mass702.29
IUPAC Name4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H18N6O.C19H16N6O/c1-13-23-16-5-3-4-6-17(16)26(13)19-12-22-11-18(25-19)24-15-9-7-14(8-10-15)20(27)21-2;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26/h3-12H,1-2H3,(H,21,27)(H,24,25);2-11H,1H3,(H2,20,26)(H,23,24)
InChIKeyZBFFXLUEZSJDAC-UHFFFAOYSA-N
XLogP6.19
TPSA183.45 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500702.78
LogP ≤ 56.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide?
The IUPAC name of 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide (CID 146432635) is 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide?
The InChIKey is ZBFFXLUEZSJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C19H16N6O/c1-13-23-16-5-3-4-6-17(16)26(13)19-12-22-11-18(25-19)24-15-9-7-14(8-10-15)20(27)21-2;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26/h3-12H,1-2H3,(H,21,27)(H,24,25);2-11H,1H3,(H2,20,26)(H,23,24).
What are the key properties of 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide?
4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide has a molecular weight of 702.78 g/mol, XLogP of 6.19, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide is sourced from PubChem (CID 146432635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).