1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol

C26H24N6OS — CID 15882801

IUPAC1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(Cn1cc(-c2ccccc2)nc1SCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N6OS/c33-26(19-32-20-27-29-30-32,23-14-8-3-9-15-23)18-31-16-24(22-12-6-2-7-13-22)28-25(31)34-17-21-10-4-1-5-11-21/h1-16,20,33H,17-19H2
InChIKeyUFCGBSHCNYIITC-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.42
Rot. Bonds9

About 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol

1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 15882801) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol
PubChem CID15882801
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC Name1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(Cn1cc(-c2ccccc2)nc1SCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N6OS/c33-26(19-32-20-27-29-30-32,23-14-8-3-9-15-23)18-31-16-24(22-12-6-2-7-13-22)28-25(31)34-17-21-10-4-1-5-11-21/h1-16,20,33H,17-19H2
InChIKeyUFCGBSHCNYIITC-UHFFFAOYSA-N
XLogP4.42
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenyl-1,3-bis(4-phenyltriazol-1-yl)propan-2-ol
CID 137350411
1-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylimidazole
CID 69188613
1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol
CID 101226095
2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine
CID 7225476
3-benzylsulfanyl-4-butyl-1,2,4-triazole
CID 54156099
5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 44548778
1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 163368823
1-(4-methylphenyl)-2-[4-(4-methylphenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-1-yl]ethanone
CID 5111062
2-benzylsulfanyl-4-phenylpyrimidine
CID 13116377
2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine
CID 117058714
4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol
CID 12833696
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenylimidazol-1-amine
CID 7246673

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol (CID 15882801) is 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)(Cn1cc(-c2ccccc2)nc1SCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is UFCGBSHCNYIITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c33-26(19-32-20-27-29-30-32,23-14-8-3-9-15-23)18-31-16-24(22-12-6-2-7-13-22)28-25(31)34-17-21-10-4-1-5-11-21/h1-16,20,33H,17-19H2.
What are the key properties of 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol?
1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 468.59 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanyl-4-phenylimidazol-1-yl)-2-phenyl-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 15882801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).