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

C18H15N5O2S — CID 52937663

IUPAC3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C18H15N5O2S/c1-26(24,25)12-8-6-11(7-9-12)15-10-20-17(19)16(21-15)18-22-13-4-2-3-5-14(13)23-18/h2-10H,1H3,(H2,19,20)(H,22,23)
InChIKeyNVZFTEWCKUYXCM-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.67
Rot. Bonds3

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

3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 52937663) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID52937663
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C18H15N5O2S/c1-26(24,25)12-8-6-11(7-9-12)15-10-20-17(19)16(21-15)18-22-13-4-2-3-5-14(13)23-18/h2-10H,1H3,(H2,19,20)(H,22,23)
InChIKeyNVZFTEWCKUYXCM-UHFFFAOYSA-N
XLogP2.67
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 52937663) is 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is NVZFTEWCKUYXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-26(24,25)12-8-6-11(7-9-12)15-10-20-17(19)16(21-15)18-22-13-4-2-3-5-14(13)23-18/h2-10H,1H3,(H2,19,20)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 365.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 52937663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).