[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol

C18H18N6O2S — CID 50974446

IUPAC[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol
SMILESCn1nnnc1SCCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1
InChIInChI=1S/C18H18N6O2S/c1-23-18(20-21-22-23)27-10-9-24-12-19-16(13-5-3-2-4-6-13)17(24)15-8-7-14(11-25)26-15/h2-8,12,25H,9-11H2,1H3
InChIKeyBWWUVGVWKDGLCK-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.62
Rot. Bonds7

About [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol

[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol (PubChem CID 50974446) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol
PubChem CID50974446
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol
SMILESCn1nnnc1SCCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1
InChIInChI=1S/C18H18N6O2S/c1-23-18(20-21-22-23)27-10-9-24-12-19-16(13-5-3-2-4-6-13)17(24)15-8-7-14(11-25)26-15/h2-8,12,25H,9-11H2,1H3
InChIKeyBWWUVGVWKDGLCK-UHFFFAOYSA-N
XLogP2.62
TPSA94.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol
CID 50962501
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
4,5-diphenyl-1-propylimidazole
CID 14950648
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17056325
[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17056385
5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-1-methyltetrazole
CID 37285323
dimethyl 5-[5-[[2-(1-methyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 4724920
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 17056384
4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 50958331

Frequently Asked Questions

What is the IUPAC name of [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol?
The IUPAC name of [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol (CID 50974446) is [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol is Cn1nnnc1SCCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1.
What is the InChIKey of [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol?
The InChIKey is BWWUVGVWKDGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-23-18(20-21-22-23)27-10-9-24-12-19-16(13-5-3-2-4-6-13)17(24)15-8-7-14(11-25)26-15/h2-8,12,25H,9-11H2,1H3.
What are the key properties of [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol?
[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol has a molecular weight of 382.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol is sourced from PubChem (CID 50974446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).