1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol

C19H21N3OS — CID 50960083

IUPAC1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(Cn2cnc(-c3ccccc3)c2-c2nccs2)CCCCC1
InChIInChI=1S/C19H21N3OS/c23-19(9-5-2-6-10-19)13-22-14-21-16(15-7-3-1-4-8-15)17(22)18-20-11-12-24-18/h1,3-4,7-8,11-12,14,23H,2,5-6,9-10,13H2
InChIKeyXACCOBNDCKHAOO-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.37
Rot. Bonds4

About 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol

1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 50960083) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID50960083
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(Cn2cnc(-c3ccccc3)c2-c2nccs2)CCCCC1
InChIInChI=1S/C19H21N3OS/c23-19(9-5-2-6-10-19)13-22-14-21-16(15-7-3-1-4-8-15)17(22)18-20-11-12-24-18/h1,3-4,7-8,11-12,14,23H,2,5-6,9-10,13H2
InChIKeyXACCOBNDCKHAOO-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol (CID 50960083) is 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol is OC1(Cn2cnc(-c3ccccc3)c2-c2nccs2)CCCCC1.
What is the InChIKey of 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is XACCOBNDCKHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-19(9-5-2-6-10-19)13-22-14-21-16(15-7-3-1-4-8-15)17(22)18-20-11-12-24-18/h1,3-4,7-8,11-12,14,23H,2,5-6,9-10,13H2.
What are the key properties of 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 339.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 50960083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).