5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole

C16H14N6S — CID 70718630

IUPAC5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
SMILESCc1ccsc1-c1nccn1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C16H14N6S/c1-12-7-10-23-15(12)16-17-8-9-21(16)11-14-18-19-20-22(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMRHJOOGSUZZIGS-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.94
Rot. Bonds4

About 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole

5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole (PubChem CID 70718630) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
PubChem CID70718630
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
SMILESCc1ccsc1-c1nccn1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C16H14N6S/c1-12-7-10-23-15(12)16-17-8-9-21(16)11-14-18-19-20-22(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMRHJOOGSUZZIGS-UHFFFAOYSA-N
XLogP2.94
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
CID 96568398
3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 56869815
1-phenyl-5-(triazol-1-ylmethyl)tetrazole
CID 86816510
1-(2-methylsulfonylethyl)-2-(3-methylthiophen-2-yl)imidazole
CID 56912209
(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
CID 95126697
(2S)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
CID 95126696
5-(imidazol-1-ylmethyl)-1-phenyltetrazole
CID 36795770
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1,5-diphenyltetrazole;2-methyl-1,3-thiazole
CID 175112675
5-(2-methylimidazol-1-yl)-1-phenyltetrazole
CID 55239596
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
The IUPAC name of 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole (CID 70718630) is 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole is Cc1ccsc1-c1nccn1Cc1nnnn1-c1ccccc1.
What is the InChIKey of 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
The InChIKey is MRHJOOGSUZZIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-12-7-10-23-15(12)16-17-8-9-21(16)11-14-18-19-20-22(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole?
5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole has a molecular weight of 322.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole is sourced from PubChem (CID 70718630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).