2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole

C14H18N4S2 — CID 51062702

IUPAC2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(CSC2=NCCN2)c(CSC2=NCCN2)c1
InChIInChI=1S/C14H18N4S2/c1-2-4-12(10-20-14-17-7-8-18-14)11(3-1)9-19-13-15-5-6-16-13/h1-4H,5-10H2,(H,15,16)(H,17,18)
InChIKeyCHVMHJXRIXIHSF-UHFFFAOYSA-N
MW306.46 g/mol
LogP2.07
Rot. Bonds4

About 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole

2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 51062702) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID51062702
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(CSC2=NCCN2)c(CSC2=NCCN2)c1
InChIInChI=1S/C14H18N4S2/c1-2-4-12(10-20-14-17-7-8-18-14)11(3-1)9-19-13-15-5-6-16-13/h1-4H,5-10H2,(H,15,16)(H,17,18)
InChIKeyCHVMHJXRIXIHSF-UHFFFAOYSA-N
XLogP2.07
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 51062702) is 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is c1ccc(CSC2=NCCN2)c(CSC2=NCCN2)c1.
What is the InChIKey of 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CHVMHJXRIXIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-2-4-12(10-20-14-17-7-8-18-14)11(3-1)9-19-13-15-5-6-16-13/h1-4H,5-10H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 306.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 51062702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).