1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole

C11H11ClN2OS — CID 118974737

IUPAC1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole
SMILESCc1ncc(C2OCCc3ccsc32)n1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-13-6-9(14(7)12)10-11-8(2-4-15-10)3-5-16-11/h3,5-6,10H,2,4H2,1H3
InChIKeyJGXDUKZWHBYERV-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.92
Rot. Bonds1

About 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole

1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole (PubChem CID 118974737) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole.

Molecular Properties

Compound Name1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole
PubChem CID118974737
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole
SMILESCc1ncc(C2OCCc3ccsc32)n1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-13-6-9(14(7)12)10-11-8(2-4-15-10)3-5-16-11/h3,5-6,10H,2,4H2,1H3
InChIKeyJGXDUKZWHBYERV-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole?
The IUPAC name of 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole (CID 118974737) is 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole.
What is the SMILES notation for 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole?
The canonical SMILES for 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole is Cc1ncc(C2OCCc3ccsc32)n1Cl.
What is the InChIKey of 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole?
The InChIKey is JGXDUKZWHBYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-13-6-9(14(7)12)10-11-8(2-4-15-10)3-5-16-11/h3,5-6,10H,2,4H2,1H3.
What are the key properties of 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole?
1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole has a molecular weight of 254.74 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole is sourced from PubChem (CID 118974737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).