1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole

C16H15ClN2S — CID 44579029

IUPAC1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccccc2)n2ccnc2)s1
InChIInChI=1S/C16H15ClN2S/c17-16-7-6-15(20-16)11-14(19-9-8-18-12-19)10-13-4-2-1-3-5-13/h1-9,12,14H,10-11H2
InChIKeyOZSAQRPUZCLBDH-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.62
Rot. Bonds5

About 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole

1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole (PubChem CID 44579029) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole
PubChem CID44579029
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccccc2)n2ccnc2)s1
InChIInChI=1S/C16H15ClN2S/c17-16-7-6-15(20-16)11-14(19-9-8-18-12-19)10-13-4-2-1-3-5-13/h1-9,12,14H,10-11H2
InChIKeyOZSAQRPUZCLBDH-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
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-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole (CID 44579029) is 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole is Clc1ccc(CC(Cc2ccccc2)n2ccnc2)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole?
The InChIKey is OZSAQRPUZCLBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c17-16-7-6-15(20-16)11-14(19-9-8-18-12-19)10-13-4-2-1-3-5-13/h1-9,12,14H,10-11H2.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole?
1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole has a molecular weight of 302.83 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-yl]imidazole is sourced from PubChem (CID 44579029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).