5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole

C16H16N8 — CID 50975704

IUPAC5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole
SMILESc1ccc(-c2ncn(CCCc3nn[nH]n3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C16H16N8/c1-2-5-12(6-3-1)14-15(16-17-8-9-18-16)24(11-19-14)10-4-7-13-20-22-23-21-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,18)(H,20,21,22,23)
InChIKeyOHTLZEUFYWKMFI-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.09
Rot. Bonds6

About 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole

5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole (PubChem CID 50975704) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole
PubChem CID50975704
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole
SMILESc1ccc(-c2ncn(CCCc3nn[nH]n3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C16H16N8/c1-2-5-12(6-3-1)14-15(16-17-8-9-18-16)24(11-19-14)10-4-7-13-20-22-23-21-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,18)(H,20,21,22,23)
InChIKeyOHTLZEUFYWKMFI-UHFFFAOYSA-N
XLogP2.09
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole?
The IUPAC name of 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole (CID 50975704) is 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole is c1ccc(-c2ncn(CCCc3nn[nH]n3)c2-c2ncc[nH]2)cc1.
What is the InChIKey of 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole?
The InChIKey is OHTLZEUFYWKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8/c1-2-5-12(6-3-1)14-15(16-17-8-9-18-16)24(11-19-14)10-4-7-13-20-22-23-21-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,18)(H,20,21,22,23).
What are the key properties of 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole?
5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole has a molecular weight of 320.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole is sourced from PubChem (CID 50975704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).