4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen

C20H22N6O — CID 158278038

IUPAC4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C20H18N6O.2H2/c1-26(2)20(27)13-9-7-12(8-10-13)16-11-22-18(21)17(23-16)19-24-14-5-3-4-6-15(14)25-19;;/h3-11H,1-2H3,(H2,21,22)(H,24,25);2*1H
InChIKeyGJVZBNZWFFTWHL-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.46
Rot. Bonds3

About 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen

4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (PubChem CID 158278038) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
PubChem CID158278038
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C20H18N6O.2H2/c1-26(2)20(27)13-9-7-12(8-10-13)16-11-22-18(21)17(23-16)19-24-14-5-3-4-6-15(14)25-19;;/h3-11H,1-2H3,(H2,21,22)(H,24,25);2*1H
InChIKeyGJVZBNZWFFTWHL-UHFFFAOYSA-N
XLogP3.46
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen
CID 158542587
[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162227855
4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
CID 91271432
3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
CID 168555256
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 154700389
3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
CID 141267876
3-amino-1-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;molecular hydrogen
CID 160531501
4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158551825
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone;molecular hydrogen
CID 159470106
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;molecular hydrogen
CID 161401655
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclohexylmethanone;molecular hydrogen
CID 159496567

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The IUPAC name of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (CID 158278038) is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.
What is the SMILES notation for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The canonical SMILES for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.[H][H].[H][H].
What is the InChIKey of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The InChIKey is GJVZBNZWFFTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.2H2/c1-26(2)20(27)13-9-7-12(8-10-13)16-11-22-18(21)17(23-16)19-24-14-5-3-4-6-15(14)25-19;;/h3-11H,1-2H3,(H2,21,22)(H,24,25);2*1H.
What are the key properties of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen has a molecular weight of 362.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is sourced from PubChem (CID 158278038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).