1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole

C20H16N2O2S — CID 177397978

IUPAC1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
SMILESCc1cccc(S(=O)(=O)n2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C20H16N2O2S/c1-15-8-7-11-17(14-15)25(23,24)22-19-13-6-5-12-18(19)21-20(22)16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyMOOOSTSCTTUTLG-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.25
Rot. Bonds3

About 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole

1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole (PubChem CID 177397978) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
PubChem CID177397978
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
SMILESCc1cccc(S(=O)(=O)n2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C20H16N2O2S/c1-15-8-7-11-17(14-15)25(23,24)22-19-13-6-5-12-18(19)21-20(22)16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyMOOOSTSCTTUTLG-UHFFFAOYSA-N
XLogP4.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole (CID 177397978) is 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole is Cc1cccc(S(=O)(=O)n2c(-c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole?
The InChIKey is MOOOSTSCTTUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-15-8-7-11-17(14-15)25(23,24)22-19-13-6-5-12-18(19)21-20(22)16-9-3-2-4-10-16/h2-14H,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole?
1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole has a molecular weight of 348.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole is sourced from PubChem (CID 177397978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).