5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine

C13H15ClN4O2S — CID 141073307

IUPAC5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine
SMILESCS(=O)(=O)c1c(N)n(CC2=NCCN2)c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN4O2S/c1-21(19,20)12-9-6-8(14)2-3-10(9)18(13(12)15)7-11-16-4-5-17-11/h2-3,6H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyRPTKTLLOBVBEQH-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.28
Rot. Bonds3

About 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine

5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine (PubChem CID 141073307) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine
PubChem CID141073307
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine
SMILESCS(=O)(=O)c1c(N)n(CC2=NCCN2)c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN4O2S/c1-21(19,20)12-9-6-8(14)2-3-10(9)18(13(12)15)7-11-16-4-5-17-11/h2-3,6H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyRPTKTLLOBVBEQH-UHFFFAOYSA-N
XLogP1.28
TPSA89.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine?
The IUPAC name of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine (CID 141073307) is 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine.
What is the SMILES notation for 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine?
The canonical SMILES for 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine is CS(=O)(=O)c1c(N)n(CC2=NCCN2)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine?
The InChIKey is RPTKTLLOBVBEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-21(19,20)12-9-6-8(14)2-3-10(9)18(13(12)15)7-11-16-4-5-17-11/h2-3,6H,4-5,7,15H2,1H3,(H,16,17).
What are the key properties of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine?
5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine has a molecular weight of 326.81 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonylindol-2-amine is sourced from PubChem (CID 141073307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).