2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole

C14H18N2OS — CID 56862801

IUPAC2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole
SMILESCc1ccsc1-c1nccn1CC1CCCOC1
InChIInChI=1S/C14H18N2OS/c1-11-4-8-18-13(11)14-15-5-6-16(14)9-12-3-2-7-17-10-12/h4-6,8,12H,2-3,7,9-10H2,1H3
InChIKeyMFTNYJPANAJORX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole

2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole (PubChem CID 56862801) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole
PubChem CID56862801
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole
SMILESCc1ccsc1-c1nccn1CC1CCCOC1
InChIInChI=1S/C14H18N2OS/c1-11-4-8-18-13(11)14-15-5-6-16(14)9-12-3-2-7-17-10-12/h4-6,8,12H,2-3,7,9-10H2,1H3
InChIKeyMFTNYJPANAJORX-UHFFFAOYSA-N
XLogP3.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole?
The IUPAC name of 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole (CID 56862801) is 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole is Cc1ccsc1-c1nccn1CC1CCCOC1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole?
The InChIKey is MFTNYJPANAJORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-4-8-18-13(11)14-15-5-6-16(14)9-12-3-2-7-17-10-12/h4-6,8,12H,2-3,7,9-10H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole?
2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole has a molecular weight of 262.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-1-(oxan-3-ylmethyl)imidazole is sourced from PubChem (CID 56862801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).