3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

C19H17N5O3S — CID 67433423

IUPAC3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCOc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H17N5O3S/c1-27-12-5-8-14-15(9-12)24-19(23-14)17-18(20)21-10-16(22-17)11-3-6-13(7-4-11)28(2,25)26/h3-10H,1-2H3,(H2,20,21)(H,23,24)
InChIKeyPBAIPTLCTOGZPS-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.68
Rot. Bonds4

About 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 67433423) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID67433423
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCOc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H17N5O3S/c1-27-12-5-8-14-15(9-12)24-19(23-14)17-18(20)21-10-16(22-17)11-3-6-13(7-4-11)28(2,25)26/h3-10H,1-2H3,(H2,20,21)(H,23,24)
InChIKeyPBAIPTLCTOGZPS-UHFFFAOYSA-N
XLogP2.68
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 67433423) is 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is COc1ccc2nc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)[nH]c2c1.
What is the InChIKey of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is PBAIPTLCTOGZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-27-12-5-8-14-15(9-12)24-19(23-14)17-18(20)21-10-16(22-17)11-3-6-13(7-4-11)28(2,25)26/h3-10H,1-2H3,(H2,20,21)(H,23,24).
What are the key properties of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 395.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 67433423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).