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

C15H15N5OS — CID 10018468

IUPAC4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1
InChIInChI=1S/C15H15N5OS/c16-14(21)11-3-1-10(2-4-11)13-8-18-15(20-13)22-6-5-12-7-17-9-19-12/h1-4,7-9H,5-6H2,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyOFLWRNCEFSGWJL-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.23
Rot. Bonds6

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

4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide (PubChem CID 10018468) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide
PubChem CID10018468
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1
InChIInChI=1S/C15H15N5OS/c16-14(21)11-3-1-10(2-4-11)13-8-18-15(20-13)22-6-5-12-7-17-9-19-12/h1-4,7-9H,5-6H2,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyOFLWRNCEFSGWJL-UHFFFAOYSA-N
XLogP2.23
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide?
The IUPAC name of 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide (CID 10018468) is 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(SCCc3cnc[nH]3)[nH]2)cc1.
What is the InChIKey of 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide?
The InChIKey is OFLWRNCEFSGWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-14(21)11-3-1-10(2-4-11)13-8-18-15(20-13)22-6-5-12-7-17-9-19-12/h1-4,7-9H,5-6H2,(H2,16,21)(H,17,19)(H,18,20).
What are the key properties of 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide?
4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide has a molecular weight of 313.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]benzamide is sourced from PubChem (CID 10018468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).