(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol

C10H12N2OS — CID 66116920

IUPAC(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cncn2C)cs1
InChIInChI=1S/C10H12N2OS/c1-7-3-8(5-14-7)10(13)9-4-11-6-12(9)2/h3-6,10,13H,1-2H3
InChIKeyIBOPCPQWEHTHSK-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.87
Rot. Bonds2

About (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol

(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol (PubChem CID 66116920) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol
PubChem CID66116920
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cncn2C)cs1
InChIInChI=1S/C10H12N2OS/c1-7-3-8(5-14-7)10(13)9-4-11-6-12(9)2/h3-6,10,13H,1-2H3
InChIKeyIBOPCPQWEHTHSK-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol (CID 66116920) is (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2cncn2C)cs1.
What is the InChIKey of (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is IBOPCPQWEHTHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-3-8(5-14-7)10(13)9-4-11-6-12(9)2/h3-6,10,13H,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol?
(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 208.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 66116920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).