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

C15H18ClN3O2S — CID 22262905

IUPAC4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole
SMILESCCCS(=O)(=O)n1cc(CC2=NCCN2)c2c(Cl)cccc21
InChIInChI=1S/C15H18ClN3O2S/c1-2-8-22(20,21)19-10-11(9-14-17-6-7-18-14)15-12(16)4-3-5-13(15)19/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyAMACTCXMMCMSMQ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.43
Rot. Bonds5

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

4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole (PubChem CID 22262905) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole.

Molecular Properties

Compound Name4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole
PubChem CID22262905
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole
SMILESCCCS(=O)(=O)n1cc(CC2=NCCN2)c2c(Cl)cccc21
InChIInChI=1S/C15H18ClN3O2S/c1-2-8-22(20,21)19-10-11(9-14-17-6-7-18-14)15-12(16)4-3-5-13(15)19/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyAMACTCXMMCMSMQ-UHFFFAOYSA-N
XLogP2.43
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole?
The IUPAC name of 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole (CID 22262905) is 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole.
What is the SMILES notation for 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole?
The canonical SMILES for 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole is CCCS(=O)(=O)n1cc(CC2=NCCN2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole?
The InChIKey is AMACTCXMMCMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-2-8-22(20,21)19-10-11(9-14-17-6-7-18-14)15-12(16)4-3-5-13(15)19/h3-5,10H,2,6-9H2,1H3,(H,17,18).
What are the key properties of 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole?
4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole has a molecular weight of 339.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-propylsulfonylindole is sourced from PubChem (CID 22262905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).