3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine

C21H23N5O — CID 70886452

IUPAC3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine
SMILESCc1ccc2nc(-c3nc(C4=CCC5(CCCO5)CC4)cnc3N)[nH]c2c1
InChIInChI=1S/C21H23N5O/c1-13-3-4-15-16(11-13)26-20(25-15)18-19(22)23-12-17(24-18)14-5-8-21(9-6-14)7-2-10-27-21/h3-5,11-12H,2,6-10H2,1H3,(H2,22,23)(H,25,26)
InChIKeyIFJURUFJWYPHRJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.03
Rot. Bonds2

About 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine

3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine (PubChem CID 70886452) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine
PubChem CID70886452
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine
SMILESCc1ccc2nc(-c3nc(C4=CCC5(CCCO5)CC4)cnc3N)[nH]c2c1
InChIInChI=1S/C21H23N5O/c1-13-3-4-15-16(11-13)26-20(25-15)18-19(22)23-12-17(24-18)14-5-8-21(9-6-14)7-2-10-27-21/h3-5,11-12H,2,6-10H2,1H3,(H2,22,23)(H,25,26)
InChIKeyIFJURUFJWYPHRJ-UHFFFAOYSA-N
XLogP4.03
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.03
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-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine?
The IUPAC name of 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine (CID 70886452) is 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine?
The canonical SMILES for 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine is Cc1ccc2nc(-c3nc(C4=CCC5(CCCO5)CC4)cnc3N)[nH]c2c1.
What is the InChIKey of 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine?
The InChIKey is IFJURUFJWYPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-3-4-15-16(11-13)26-20(25-15)18-19(22)23-12-17(24-18)14-5-8-21(9-6-14)7-2-10-27-21/h3-5,11-12H,2,6-10H2,1H3,(H2,22,23)(H,25,26).
What are the key properties of 3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine?
3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 4.03, 2 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-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine is sourced from PubChem (CID 70886452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).