N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide

C16H17N3O2S — CID 17139121

IUPACN-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-22(20,21)18-14-7-8-16-15(11-14)17-12-19(16)10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3
InChIKeyTYANFPBZUVOMNK-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.65
Rot. Bonds5

About N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide

N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide (PubChem CID 17139121) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
PubChem CID17139121
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-22(20,21)18-14-7-8-16-15(11-14)17-12-19(16)10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3
InChIKeyTYANFPBZUVOMNK-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide (CID 17139121) is N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1.
What is the InChIKey of N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
The InChIKey is TYANFPBZUVOMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-22(20,21)18-14-7-8-16-15(11-14)17-12-19(16)10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide is sourced from PubChem (CID 17139121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).