5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole

C19H18N6S — CID 51954889

IUPAC5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole
SMILESCc1cccc(-n2ccnc2S[C@@H](C)c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H18N6S/c1-14-7-6-10-17(13-14)24-12-11-20-19(24)26-15(2)18-21-22-23-25(18)16-8-4-3-5-9-16/h3-13,15H,1-2H3/t15-/m0/s1
InChIKeyBVZCZZSBTQFHBC-HNNXBMFYSA-N
MW362.46 g/mol
LogP4.01
Rot. Bonds5

About 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole

5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole (PubChem CID 51954889) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole
PubChem CID51954889
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole
SMILESCc1cccc(-n2ccnc2S[C@@H](C)c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H18N6S/c1-14-7-6-10-17(13-14)24-12-11-20-19(24)26-15(2)18-21-22-23-25(18)16-8-4-3-5-9-16/h3-13,15H,1-2H3/t15-/m0/s1
InChIKeyBVZCZZSBTQFHBC-HNNXBMFYSA-N
XLogP4.01
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 134052377
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
CID 129255839
5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole
CID 51942037
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
5-(2-methylimidazol-1-yl)-1-phenyltetrazole
CID 55239596
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
5-[(1S)-1-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-phenyltetrazole
CID 51954860
4-[4-phenyl-5-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 46435108

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole?
The IUPAC name of 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole (CID 51954889) is 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole is Cc1cccc(-n2ccnc2S[C@@H](C)c2nnnn2-c2ccccc2)c1.
What is the InChIKey of 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole?
The InChIKey is BVZCZZSBTQFHBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N6S/c1-14-7-6-10-17(13-14)24-12-11-20-19(24)26-15(2)18-21-22-23-25(18)16-8-4-3-5-9-16/h3-13,15H,1-2H3/t15-/m0/s1.
What are the key properties of 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole?
5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole has a molecular weight of 362.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole is sourced from PubChem (CID 51954889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).