[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol

C16H22N2O2S — CID 19704245

IUPAC[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol
SMILESCCCCc1nc(SCc2ccc(OC)cc2)c(CO)[nH]1
InChIInChI=1S/C16H22N2O2S/c1-3-4-5-15-17-14(10-19)16(18-15)21-11-12-6-8-13(20-2)9-7-12/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyRCQBDFNXJCYLQE-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.55
Rot. Bonds8

About [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol

[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol (PubChem CID 19704245) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol
PubChem CID19704245
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol
SMILESCCCCc1nc(SCc2ccc(OC)cc2)c(CO)[nH]1
InChIInChI=1S/C16H22N2O2S/c1-3-4-5-15-17-14(10-19)16(18-15)21-11-12-6-8-13(20-2)9-7-12/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyRCQBDFNXJCYLQE-UHFFFAOYSA-N
XLogP3.55
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol (CID 19704245) is [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol is CCCCc1nc(SCc2ccc(OC)cc2)c(CO)[nH]1.
What is the InChIKey of [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol?
The InChIKey is RCQBDFNXJCYLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-4-5-15-17-14(10-19)16(18-15)21-11-12-6-8-13(20-2)9-7-12/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18).
What are the key properties of [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol?
[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol has a molecular weight of 306.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 19704245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).