2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole

C10H10Cl2N2S — CID 117260050

IUPAC2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1c(-c2ccc(Cl)s2)cnc1Cl
InChIInChI=1S/C10H10Cl2N2S/c1-6(2)14-7(5-13-10(14)12)8-3-4-9(11)15-8/h3-6H,1-2H3
InChIKeyVFYMDKSIRFTPGY-UHFFFAOYSA-N
MW261.18 g/mol
LogP4.50
Rot. Bonds2

About 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole

2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole (PubChem CID 117260050) has the molecular formula C10H10Cl2N2S and a molecular weight of 261.18 g/mol. Its IUPAC name is 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
PubChem CID117260050
Molecular FormulaC10H10Cl2N2S
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1c(-c2ccc(Cl)s2)cnc1Cl
InChIInChI=1S/C10H10Cl2N2S/c1-6(2)14-7(5-13-10(14)12)8-3-4-9(11)15-8/h3-6H,1-2H3
InChIKeyVFYMDKSIRFTPGY-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole?
The IUPAC name of 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole (CID 117260050) is 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole.
What is the SMILES notation for 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole?
The canonical SMILES for 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole is CC(C)n1c(-c2ccc(Cl)s2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole?
The InChIKey is VFYMDKSIRFTPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2S/c1-6(2)14-7(5-13-10(14)12)8-3-4-9(11)15-8/h3-6H,1-2H3.
What are the key properties of 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole?
2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole has a molecular weight of 261.18 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole is sourced from PubChem (CID 117260050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).