2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C13H14N2S — CID 788156

IUPAC2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(CSc2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H14N2S/c1-2-5-11(6-3-1)10-16-13-9-15-8-4-7-12(15)14-13/h1-3,5-6,9H,4,7-8,10H2
InChIKeyMVZRNZSNBHONEQ-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.12
Rot. Bonds3

About 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 788156) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID788156
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(CSc2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H14N2S/c1-2-5-11(6-3-1)10-16-13-9-15-8-4-7-12(15)14-13/h1-3,5-6,9H,4,7-8,10H2
InChIKeyMVZRNZSNBHONEQ-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 759935
6-[(Phenylmethylthio)methyl]imidazo[2,1-b]thiazole
CID 2997803
1H-Imidazole, 1-ethyl-1-(ethylthio)-2-phenyl-, monohydrochloride
CID 2873386
2-[(2-chlorophenyl)methylthio]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 870163
1-(2-Benzylsulfanylethyl)imidazole
CID 58580501
Benzyl 2-methylimidazole-1-carbodithioate;hydrochloride
CID 122182171
1-Methylimidazole, 2-benzylthio-
CID 563318
1-Methyl-2-(4-methylphenyl)sulfanylimidazole
CID 11333187
Phenylimidazo[2,1-b]thiazole
CID 19964807
1-Ethyl-5-(ethylthio)-2-phenylimidazole;hydrochloride
CID 853734
2-(4-Fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole 1-oxide
CID 67938889
4-[(3-Fluorophenyl)methylsulfanyl]-1-methylimidazole
CID 70530812

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 788156) is 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1ccc(CSc2cn3c(n2)CCC3)cc1.
What is the InChIKey of 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is MVZRNZSNBHONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-5-11(6-3-1)10-16-13-9-15-8-4-7-12(15)14-13/h1-3,5-6,9H,4,7-8,10H2.
What are the key properties of 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 230.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 788156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).