5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole

C12H12N6O2S — CID 96568398

IUPAC5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
SMILESCS(=O)(=O)c1nccn1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C12H12N6O2S/c1-21(19,20)12-13-7-8-17(12)9-11-14-15-16-18(11)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyMXGKYZKCIUELSY-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.31
Rot. Bonds4

About 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole

5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole (PubChem CID 96568398) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
PubChem CID96568398
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC Name5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
SMILESCS(=O)(=O)c1nccn1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C12H12N6O2S/c1-21(19,20)12-13-7-8-17(12)9-11-14-15-16-18(11)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyMXGKYZKCIUELSY-UHFFFAOYSA-N
XLogP0.31
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
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CID 94696998
1-phenyl-5-(triazol-1-ylmethyl)tetrazole
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N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide
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5-(imidazol-1-ylmethyl)-1-phenyltetrazole
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CID 3090521
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
2-(1-phenyltetrazol-5-yl)ethanamine
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5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
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(3S,4R)-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-phenylpyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole?
The IUPAC name of 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole (CID 96568398) is 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole is CS(=O)(=O)c1nccn1Cc1nnnn1-c1ccccc1.
What is the InChIKey of 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole?
The InChIKey is MXGKYZKCIUELSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-21(19,20)12-13-7-8-17(12)9-11-14-15-16-18(11)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole?
5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole has a molecular weight of 304.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole is sourced from PubChem (CID 96568398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).