2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

C24H25N3O2S — CID 53063341

IUPAC2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H25N3O2S/c1-19-9-5-8-14-23(19)30(28,29)25-17-18-27-22-13-7-6-12-21(22)26-24(27)16-15-20-10-3-2-4-11-20/h2-14,25H,15-18H2,1H3
InChIKeyPCPVPZLUFHHOEU-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.11
Rot. Bonds8

About 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 53063341) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID53063341
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H25N3O2S/c1-19-9-5-8-14-23(19)30(28,29)25-17-18-27-22-13-7-6-12-21(22)26-24(27)16-15-20-10-3-2-4-11-20/h2-14,25H,15-18H2,1H3
InChIKeyPCPVPZLUFHHOEU-UHFFFAOYSA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 53063341) is 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCn1c(CCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is PCPVPZLUFHHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-19-9-5-8-14-23(19)30(28,29)25-17-18-27-22-13-7-6-12-21(22)26-24(27)16-15-20-10-3-2-4-11-20/h2-14,25H,15-18H2,1H3.
What are the key properties of 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).