2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide

C18H21N3O2S — CID 110779166

IUPAC2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
SMILESCC(C)n1cnc2cc(NS(=O)(=O)CCc3ccccc3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-14(2)21-13-19-17-12-16(8-9-18(17)21)20-24(22,23)11-10-15-6-4-3-5-7-15/h3-9,12-14,20H,10-11H2,1-2H3
InChIKeyQLARVYNORKJEDY-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.60
Rot. Bonds6

About 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide

2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide (PubChem CID 110779166) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
PubChem CID110779166
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
SMILESCC(C)n1cnc2cc(NS(=O)(=O)CCc3ccccc3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-14(2)21-13-19-17-12-16(8-9-18(17)21)20-24(22,23)11-10-15-6-4-3-5-7-15/h3-9,12-14,20H,10-11H2,1-2H3
InChIKeyQLARVYNORKJEDY-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 2961516
3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779168
4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
CID 110779156
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
CID 110724401
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide
CID 71939376
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide (CID 110779166) is 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide is CC(C)n1cnc2cc(NS(=O)(=O)CCc3ccccc3)ccc21.
What is the InChIKey of 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide?
The InChIKey is QLARVYNORKJEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14(2)21-13-19-17-12-16(8-9-18(17)21)20-24(22,23)11-10-15-6-4-3-5-7-15/h3-9,12-14,20H,10-11H2,1-2H3.
What are the key properties of 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide?
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 110779166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).