5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole

C15H14N8 — CID 70770387

IUPAC5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
SMILESCc1[nH]cnc1-c1nccn1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H14N8/c1-11-14(18-10-17-11)15-16-7-8-22(15)9-13-19-20-21-23(13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyRRKHPQXQODIDPW-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.61
Rot. Bonds4

About 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole

5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole (PubChem CID 70770387) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
PubChem CID70770387
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
SMILESCc1[nH]cnc1-c1nccn1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H14N8/c1-11-14(18-10-17-11)15-16-7-8-22(15)9-13-19-20-21-23(13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyRRKHPQXQODIDPW-UHFFFAOYSA-N
XLogP1.61
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
The IUPAC name of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole (CID 70770387) is 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole is Cc1[nH]cnc1-c1nccn1Cc1nnnn1-c1ccccc1.
What is the InChIKey of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
The InChIKey is RRKHPQXQODIDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c1-11-14(18-10-17-11)15-16-7-8-22(15)9-13-19-20-21-23(13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole has a molecular weight of 306.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1-phenyltetrazole is sourced from PubChem (CID 70770387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).