(3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone

C10H9ClN2OS — CID 130509694

IUPAC(3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCc1csc(C(=O)c2cn(C)cn2)c1Cl
InChIInChI=1S/C10H9ClN2OS/c1-6-4-15-10(8(6)11)9(14)7-3-13(2)5-12-7/h3-5H,1-2H3
InChIKeyHJUZYFQJYOHHPL-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.67
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone

(3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 130509694) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID130509694
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCc1csc(C(=O)c2cn(C)cn2)c1Cl
InChIInChI=1S/C10H9ClN2OS/c1-6-4-15-10(8(6)11)9(14)7-3-13(2)5-12-7/h3-5H,1-2H3
InChIKeyHJUZYFQJYOHHPL-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone (CID 130509694) is (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone is Cc1csc(C(=O)c2cn(C)cn2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is HJUZYFQJYOHHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-4-15-10(8(6)11)9(14)7-3-13(2)5-12-7/h3-5H,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone?
(3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 240.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 130509694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).