2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C13H13ClN2S — CID 759935

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccc(CSc2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)9-17-13-8-16-7-1-2-12(16)15-13/h3-6,8H,1-2,7,9H2
InChIKeyUDPSJSXSZKJVPM-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.78
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 759935) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID759935
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccc(CSc2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)9-17-13-8-16-7-1-2-12(16)15-13/h3-6,8H,1-2,7,9H2
InChIKeyUDPSJSXSZKJVPM-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 788156
2-[(2-chlorophenyl)methylthio]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 870163
1-[[2-(2-(4-Chlorophenyl)ethyl)-1,3-dithiolan-2-yl]methyl]imidazole hydrochloride
CID 11610203
2-[(2,4-Dichlorophenyl)methylthio]-1-methylimidazole
CID 16280550
6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574936
1-[(4-Chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole
CID 2822144
2-[(4-Chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpyrazine
CID 172433465
6-[(4-Chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 4052061
2-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole
CID 4550698
1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methyl)-1H-imidazole hydrochloride
CID 11609518
2-[(4-Chloro-2-fluorophenyl)methylsulfanyl]-1-methylimidazole
CID 133563769
2-[(4-chlorophenyl)methylsulfanyl]-1-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium
CID 878707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 759935) is 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Clc1ccc(CSc2cn3c(n2)CCC3)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is UDPSJSXSZKJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)9-17-13-8-16-7-1-2-12(16)15-13/h3-6,8H,1-2,7,9H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 264.78 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 759935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).