2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole

C19H22N2O3S — CID 50876294

IUPAC2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole
SMILESCCCOc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1
InChIInChI=1S/C19H22N2O3S/c1-4-11-24-17-7-5-16-13-18(8-6-15(16)12-17)25(22,23)21-10-9-20-19(21)14(2)3/h5-10,12-14H,4,11H2,1-3H3
InChIKeyMASQHNFEOHJALE-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.19
Rot. Bonds6

About 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole

2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole (PubChem CID 50876294) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole.

Molecular Properties

Compound Name2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole
PubChem CID50876294
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole
SMILESCCCOc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1
InChIInChI=1S/C19H22N2O3S/c1-4-11-24-17-7-5-16-13-18(8-6-15(16)12-17)25(22,23)21-10-9-20-19(21)14(2)3/h5-10,12-14H,4,11H2,1-3H3
InChIKeyMASQHNFEOHJALE-UHFFFAOYSA-N
XLogP4.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole?
The IUPAC name of 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole (CID 50876294) is 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole.
What is the SMILES notation for 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole?
The canonical SMILES for 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole is CCCOc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1.
What is the InChIKey of 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole?
The InChIKey is MASQHNFEOHJALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-11-24-17-7-5-16-13-18(8-6-15(16)12-17)25(22,23)21-10-9-20-19(21)14(2)3/h5-10,12-14H,4,11H2,1-3H3.
What are the key properties of 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole?
2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole has a molecular weight of 358.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(6-propoxynaphthalen-2-yl)sulfonylimidazole is sourced from PubChem (CID 50876294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).