3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

C25H28N8O — CID 127047442

IUPAC3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4cccc(N5CCNCC5)c4n3C)n2)c1
InChIInChI=1S/C25H28N8O/c1-31(2)25(34)17-7-4-6-16(14-17)19-15-28-23(26)21(29-19)24-30-18-8-5-9-20(22(18)32(24)3)33-12-10-27-11-13-33/h4-9,14-15,27H,10-13H2,1-3H3,(H2,26,28)
InChIKeyJONIGSIXPCHLPF-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.39
Rot. Bonds4

About 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 127047442) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID127047442
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4cccc(N5CCNCC5)c4n3C)n2)c1
InChIInChI=1S/C25H28N8O/c1-31(2)25(34)17-7-4-6-16(14-17)19-15-28-23(26)21(29-19)24-30-18-8-5-9-20(22(18)32(24)3)33-12-10-27-11-13-33/h4-9,14-15,27H,10-13H2,1-3H3,(H2,26,28)
InChIKeyJONIGSIXPCHLPF-UHFFFAOYSA-N
XLogP2.39
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (CID 127047442) is 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4cccc(N5CCNCC5)c4n3C)n2)c1.
What is the InChIKey of 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is JONIGSIXPCHLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-31(2)25(34)17-7-4-6-16(14-17)19-15-28-23(26)21(29-19)24-30-18-8-5-9-20(22(18)32(24)3)33-12-10-27-11-13-33/h4-9,14-15,27H,10-13H2,1-3H3,(H2,26,28).
What are the key properties of 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 456.55 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(1-methyl-7-piperazin-1-ylbenzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 127047442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).