[2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol

C10H12N2OS — CID 63108391

IUPAC[2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol
SMILESCc1cc(-c2ncc(CO)[nH]2)c(C)s1
InChIInChI=1S/C10H12N2OS/c1-6-3-9(7(2)14-6)10-11-4-8(5-13)12-10/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKeyNKHVECNHUCUMSS-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.25
Rot. Bonds2

About [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol

[2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol (PubChem CID 63108391) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol
PubChem CID63108391
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol
SMILESCc1cc(-c2ncc(CO)[nH]2)c(C)s1
InChIInChI=1S/C10H12N2OS/c1-6-3-9(7(2)14-6)10-11-4-8(5-13)12-10/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKeyNKHVECNHUCUMSS-UHFFFAOYSA-N
XLogP2.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1H-imidazol-5-yl)methanol
CID 10080865
US11629136, Example 20a
CID 167449125
2-phenyl-5-thiophen-3-yl-1H-imidazole
CID 13664775
US11629136, Example 20
CID 167449130
US11629136, Example 30a
CID 167449135
2-(p-Tolyl)imidazole-5-methanol
CID 13011242
2-propan-2-yl-5-thiophen-3-yl-1H-imidazole
CID 13664771
2-Phenyl-5-(2-thienyl)imidazole
CID 71144829
2-[[5-amino-2-[4-(trifluoromethyl)thiophen-2-yl]piperidin-4-yl]amino]-1-(2-methyl-1H-imidazol-5-yl)ethanol
CID 69559929
[4-Methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol
CID 169086350
US11629136, Example 21
CID 167449134
2-phenyl-5-(thiophen-3-ylmethyl)-1H-imidazole
CID 15057079

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol (CID 63108391) is [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol is Cc1cc(-c2ncc(CO)[nH]2)c(C)s1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol?
The InChIKey is NKHVECNHUCUMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6-3-9(7(2)14-6)10-11-4-8(5-13)12-10/h3-4,13H,5H2,1-2H3,(H,11,12).
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol?
[2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol has a molecular weight of 208.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 63108391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).