5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

C17H16N6OS — CID 134001576

IUPAC5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESc1ccc(Cn2ccnc2CSc2nnnn2Cc2ccco2)cc1
InChIInChI=1S/C17H16N6OS/c1-2-5-14(6-3-1)11-22-9-8-18-16(22)13-25-17-19-20-21-23(17)12-15-7-4-10-24-15/h1-10H,11-13H2
InChIKeySPOREWALGOSZLN-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.85
Rot. Bonds7

About 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (PubChem CID 134001576) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
PubChem CID134001576
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESc1ccc(Cn2ccnc2CSc2nnnn2Cc2ccco2)cc1
InChIInChI=1S/C17H16N6OS/c1-2-5-14(6-3-1)11-22-9-8-18-16(22)13-25-17-19-20-21-23(17)12-15-7-4-10-24-15/h1-10H,11-13H2
InChIKeySPOREWALGOSZLN-UHFFFAOYSA-N
XLogP2.85
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(1-benzylimidazol-2-yl)methylsulfanyl]-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole
CID 55570595
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 42140180
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 47138148
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17451985
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole
CID 46411011
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 18140859
2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine
CID 56790276
N-(5-chloro-2-pyridinyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693836
3-(4-ethylphenyl)-5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 18140820

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The IUPAC name of 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (CID 134001576) is 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The canonical SMILES for 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is c1ccc(Cn2ccnc2CSc2nnnn2Cc2ccco2)cc1.
What is the InChIKey of 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The InChIKey is SPOREWALGOSZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-2-5-14(6-3-1)11-22-9-8-18-16(22)13-25-17-19-20-21-23(17)12-15-7-4-10-24-15/h1-10H,11-13H2.
What are the key properties of 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole has a molecular weight of 352.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is sourced from PubChem (CID 134001576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).