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

C13H14N2S — CID 54458815

IUPAC2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCSc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H14N2S/c1-16-11-6-4-10(5-7-11)12-9-15-8-2-3-13(15)14-12/h4-7,9H,2-3,8H2,1H3
InChIKeyXADNANXWMXDEND-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.22
Rot. Bonds2

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

2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 54458815) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID54458815
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCSc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C13H14N2S/c1-16-11-6-4-10(5-7-11)12-9-15-8-2-3-13(15)14-12/h4-7,9H,2-3,8H2,1H3
InChIKeyXADNANXWMXDEND-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 54458815) is 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CSc1ccc(-c2cn3c(n2)CCC3)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is XADNANXWMXDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-16-11-6-4-10(5-7-11)12-9-15-8-2-3-13(15)14-12/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 230.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 54458815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).