N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline

C13H19N3O2S — CID 11811395

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline
SMILESCC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C13H19N3O2S/c1-10(2)19(17,18)12-6-4-3-5-11(12)16-9-13-14-7-8-15-13/h3-6,10,16H,7-9H2,1-2H3,(H,14,15)
InChIKeyXDUYFOWMTMCCEI-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.28
Rot. Bonds5

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline (PubChem CID 11811395) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline
PubChem CID11811395
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline
SMILESCC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C13H19N3O2S/c1-10(2)19(17,18)12-6-4-3-5-11(12)16-9-13-14-7-8-15-13/h3-6,10,16H,7-9H2,1-2H3,(H,14,15)
InChIKeyXDUYFOWMTMCCEI-UHFFFAOYSA-N
XLogP1.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline (CID 11811395) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline is CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline?
The InChIKey is XDUYFOWMTMCCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10(2)19(17,18)12-6-4-3-5-11(12)16-9-13-14-7-8-15-13/h3-6,10,16H,7-9H2,1-2H3,(H,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline has a molecular weight of 281.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfonylaniline is sourced from PubChem (CID 11811395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).