N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide

C26H29N3O2S — CID 53063353

IUPACN-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H29N3O2S/c1-20(2)22-13-15-23(16-14-22)32(30,31)27-18-19-29-25-11-7-6-10-24(25)28-26(29)17-12-21-8-4-3-5-9-21/h3-11,13-16,20,27H,12,17-19H2,1-2H3
InChIKeySESNGUAMVHSJOS-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.92
Rot. Bonds9

About N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide

N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 53063353) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID53063353
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H29N3O2S/c1-20(2)22-13-15-23(16-14-22)32(30,31)27-18-19-29-25-11-7-6-10-24(25)28-26(29)17-12-21-8-4-3-5-9-21/h3-11,13-16,20,27H,12,17-19H2,1-2H3
InChIKeySESNGUAMVHSJOS-UHFFFAOYSA-N
XLogP4.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide (CID 53063353) is N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is SESNGUAMVHSJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-20(2)22-13-15-23(16-14-22)32(30,31)27-18-19-29-25-11-7-6-10-24(25)28-26(29)17-12-21-8-4-3-5-9-21/h3-11,13-16,20,27H,12,17-19H2,1-2H3.
What are the key properties of N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide?
N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 447.60 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53063353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).