2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide

C29H27N3O3S — CID 126962110

IUPAC2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2CCCc1ccccc1
InChIInChI=1S/C29H27N3O3S/c1-35-27-16-8-9-17-28(27)36(33,34)31-24-18-19-26-25(21-24)30-29(23-14-6-3-7-15-23)32(26)20-10-13-22-11-4-2-5-12-22/h2-9,11-12,14-19,21,31H,10,13,20H2,1H3
InChIKeyDXPHNVZVDOENBQ-UHFFFAOYSA-N
MW497.62 g/mol
LogP6.15
Rot. Bonds9

About 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide

2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 126962110) has the molecular formula C29H27N3O3S and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID126962110
Molecular FormulaC29H27N3O3S
Molecular Weight497.62 g/mol
Exact Mass497.18
IUPAC Name2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2CCCc1ccccc1
InChIInChI=1S/C29H27N3O3S/c1-35-27-16-8-9-17-28(27)36(33,34)31-24-18-19-26-25(21-24)30-29(23-14-6-3-7-15-23)32(26)20-10-13-22-11-4-2-5-12-22/h2-9,11-12,14-19,21,31H,10,13,20H2,1H3
InChIKeyDXPHNVZVDOENBQ-UHFFFAOYSA-N
XLogP6.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide (CID 126962110) is 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2CCCc1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is DXPHNVZVDOENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3S/c1-35-27-16-8-9-17-28(27)36(33,34)31-24-18-19-26-25(21-24)30-29(23-14-6-3-7-15-23)32(26)20-10-13-22-11-4-2-5-12-22/h2-9,11-12,14-19,21,31H,10,13,20H2,1H3.
What are the key properties of 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide?
2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 497.62 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-phenyl-1-(3-phenylpropyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 126962110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).