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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Related Compounds

5-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 25330187
5-bromo-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine
CID 47023498
3-[[1-(4-chlorophenyl)tetrazol-5-yl]methylsulfanyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135633959
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline
CID 70096506
[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66151702
4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide
CID 35040288
6-methyl-5-[(2R)-2-methylbutyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 40794910
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
CID 104590232
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 4894638
3-methyl-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43302821
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593

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).