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

C24H19N5O2S — CID 70842448

IUPAC5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4n3-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N5O2S/c1-32(30,31)18-13-11-16(12-14-18)20-15-26-23(25)22(27-20)24-28-19-9-5-6-10-21(19)29(24)17-7-3-2-4-8-17/h2-15H,1H3,(H2,25,26)
InChIKeyAHAOQVCQKOVWIR-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.14
Rot. Bonds4

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

5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine (PubChem CID 70842448) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine
PubChem CID70842448
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC Name5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4n3-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N5O2S/c1-32(30,31)18-13-11-16(12-14-18)20-15-26-23(25)22(27-20)24-28-19-9-5-6-10-21(19)29(24)17-7-3-2-4-8-17/h2-15H,1H3,(H2,25,26)
InChIKeyAHAOQVCQKOVWIR-UHFFFAOYSA-N
XLogP4.14
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine (CID 70842448) is 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4n3-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine?
The InChIKey is AHAOQVCQKOVWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-32(30,31)18-13-11-16(12-14-18)20-15-26-23(25)22(27-20)24-28-19-9-5-6-10-21(19)29(24)17-7-3-2-4-8-17/h2-15H,1H3,(H2,25,26).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine?
5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine has a molecular weight of 441.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-(1-phenylbenzimidazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 70842448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).