4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole

C14H11ClN2S — CID 71061934

IUPAC4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole
SMILESCc1[nH]c(-c2ccsc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2S/c1-9-13(10-2-4-12(15)5-3-10)17-14(16-9)11-6-7-18-8-11/h2-8H,1H3,(H,16,17)
InChIKeyPSSHNGWGOMRTMU-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.77
Rot. Bonds2

About 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole

4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole (PubChem CID 71061934) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole
PubChem CID71061934
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole
SMILESCc1[nH]c(-c2ccsc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2S/c1-9-13(10-2-4-12(15)5-3-10)17-14(16-9)11-6-7-18-8-11/h2-8H,1H3,(H,16,17)
InChIKeyPSSHNGWGOMRTMU-UHFFFAOYSA-N
XLogP4.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole (CID 71061934) is 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole is Cc1[nH]c(-c2ccsc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole?
The InChIKey is PSSHNGWGOMRTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c1-9-13(10-2-4-12(15)5-3-10)17-14(16-9)11-6-7-18-8-11/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole?
4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole has a molecular weight of 274.78 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole is sourced from PubChem (CID 71061934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).