2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole

C14H14N4S — CID 10445847

IUPAC2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-11(5-3-1)13-9-16-14(18-13)19-7-6-12-8-15-10-17-12/h1-5,8-10H,6-7H2,(H,15,17)(H,16,18)
InChIKeyWHLNITBMIBHDBW-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.13
Rot. Bonds5

About 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole

2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole (PubChem CID 10445847) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole
PubChem CID10445847
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1
InChIInChI=1S/C14H14N4S/c1-2-4-11(5-3-1)13-9-16-14(18-13)19-7-6-12-8-15-10-17-12/h1-5,8-10H,6-7H2,(H,15,17)(H,16,18)
InChIKeyWHLNITBMIBHDBW-UHFFFAOYSA-N
XLogP3.13
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole (CID 10445847) is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole is c1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole?
The InChIKey is WHLNITBMIBHDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-4-11(5-3-1)13-9-16-14(18-13)19-7-6-12-8-15-10-17-12/h1-5,8-10H,6-7H2,(H,15,17)(H,16,18).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole?
2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole has a molecular weight of 270.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 10445847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).