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

C15H13ClN2S — CID 71145033

IUPAC2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole
SMILESCc1[nH]c(Cc2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C15H13ClN2S/c1-10-15(13-3-2-8-19-13)18-14(17-10)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJDLYZHWPYZHVCG-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.69
Rot. Bonds3

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

2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole (PubChem CID 71145033) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole
PubChem CID71145033
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole
SMILESCc1[nH]c(Cc2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C15H13ClN2S/c1-10-15(13-3-2-8-19-13)18-14(17-10)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJDLYZHWPYZHVCG-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole (CID 71145033) is 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole is Cc1[nH]c(Cc2ccc(Cl)cc2)nc1-c1cccs1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole?
The InChIKey is JDLYZHWPYZHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10-15(13-3-2-8-19-13)18-14(17-10)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole?
2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole has a molecular weight of 288.80 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-methyl-4-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 71145033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).