5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole

C14H13ClN4S — CID 10402802

IUPAC5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole
SMILESClc1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1
InChIInChI=1S/C14H13ClN4S/c15-11-3-1-10(2-4-11)13-8-17-14(19-13)20-6-5-12-7-16-9-18-12/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19)
InChIKeyZCCFUMMRXFLACM-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.79
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole

5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole (PubChem CID 10402802) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole
PubChem CID10402802
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole
SMILESClc1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1
InChIInChI=1S/C14H13ClN4S/c15-11-3-1-10(2-4-11)13-8-17-14(19-13)20-6-5-12-7-16-9-18-12/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19)
InChIKeyZCCFUMMRXFLACM-UHFFFAOYSA-N
XLogP3.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole (CID 10402802) is 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole is Clc1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
The InChIKey is ZCCFUMMRXFLACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c15-11-3-1-10(2-4-11)13-8-17-14(19-13)20-6-5-12-7-16-9-18-12/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19).
What are the key properties of 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole has a molecular weight of 304.81 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole is sourced from PubChem (CID 10402802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).