1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole

C17H14N6S — CID 35040145

IUPAC1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole
SMILESc1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H14N6S/c1-3-7-13(8-4-1)15-11-18-17(19-15)24-12-16-20-21-22-23(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19)
InChIKeyDUKRCTHBXDEBGV-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.34
Rot. Bonds5

About 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole

1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole (PubChem CID 35040145) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole
PubChem CID35040145
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole
SMILESc1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H14N6S/c1-3-7-13(8-4-1)15-11-18-17(19-15)24-12-16-20-21-22-23(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19)
InChIKeyDUKRCTHBXDEBGV-UHFFFAOYSA-N
XLogP3.34
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole?
The IUPAC name of 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole (CID 35040145) is 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole?
The canonical SMILES for 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole is c1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole?
The InChIKey is DUKRCTHBXDEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-3-7-13(8-4-1)15-11-18-17(19-15)24-12-16-20-21-22-23(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19).
What are the key properties of 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole?
1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole has a molecular weight of 334.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole is sourced from PubChem (CID 35040145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).