(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol

C12H16N2OS — CID 61316107

IUPAC(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1sccc1C
InChIInChI=1S/C12H16N2OS/c1-3-6-14-7-5-13-12(14)10(15)11-9(2)4-8-16-11/h4-5,7-8,10,15H,3,6H2,1-2H3
InChIKeyBDOGAYUXEQXSRI-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.74
Rot. Bonds4

About (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol

(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol (PubChem CID 61316107) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol
PubChem CID61316107
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1sccc1C
InChIInChI=1S/C12H16N2OS/c1-3-6-14-7-5-13-12(14)10(15)11-9(2)4-8-16-11/h4-5,7-8,10,15H,3,6H2,1-2H3
InChIKeyBDOGAYUXEQXSRI-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol (CID 61316107) is (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1sccc1C.
What is the InChIKey of (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is BDOGAYUXEQXSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-6-14-7-5-13-12(14)10(15)11-9(2)4-8-16-11/h4-5,7-8,10,15H,3,6H2,1-2H3.
What are the key properties of (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol?
(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 236.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 61316107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).