1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole

C15H13ClN2S — CID 106869997

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCc1ccc(Cn2ccnc2-c2cccs2)c(Cl)c1
InChIInChI=1S/C15H13ClN2S/c1-11-4-5-12(13(16)9-11)10-18-7-6-17-15(18)14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeyCGDBUCZXCUNLHK-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.62
Rot. Bonds3

About 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole

1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole (PubChem CID 106869997) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole
PubChem CID106869997
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCc1ccc(Cn2ccnc2-c2cccs2)c(Cl)c1
InChIInChI=1S/C15H13ClN2S/c1-11-4-5-12(13(16)9-11)10-18-7-6-17-15(18)14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeyCGDBUCZXCUNLHK-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole (CID 106869997) is 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole is Cc1ccc(Cn2ccnc2-c2cccs2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
The InChIKey is CGDBUCZXCUNLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-11-4-5-12(13(16)9-11)10-18-7-6-17-15(18)14-3-2-8-19-14/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole has a molecular weight of 288.80 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 106869997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).