3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen

C18H19N5O — CID 158484254

IUPAC3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(Oc4ccccc4)cnc3N)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C18H15N5O.2H2/c1-11-7-8-13-14(9-11)22-18(21-13)16-17(19)20-10-15(23-16)24-12-5-3-2-4-6-12;;/h2-10H,1H3,(H2,19,20)(H,21,22);2*1H
InChIKeyHHWYYZBHWYYLQM-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.19
Rot. Bonds3

About 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen

3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen (PubChem CID 158484254) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen
PubChem CID158484254
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(Oc4ccccc4)cnc3N)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C18H15N5O.2H2/c1-11-7-8-13-14(9-11)22-18(21-13)16-17(19)20-10-15(23-16)24-12-5-3-2-4-6-12;;/h2-10H,1H3,(H2,19,20)(H,21,22);2*1H
InChIKeyHHWYYZBHWYYLQM-UHFFFAOYSA-N
XLogP4.19
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen?
The IUPAC name of 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen (CID 158484254) is 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen is Cc1ccc2nc(-c3nc(Oc4ccccc4)cnc3N)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen?
The InChIKey is HHWYYZBHWYYLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.2H2/c1-11-7-8-13-14(9-11)22-18(21-13)16-17(19)20-10-15(23-16)24-12-5-3-2-4-6-12;;/h2-10H,1H3,(H2,19,20)(H,21,22);2*1H.
What are the key properties of 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen?
3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen has a molecular weight of 321.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 158484254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).