4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine

C25H19ClFN5S — CID 70103445

IUPAC4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc(-c3ccnc(NCCc4ccccc4)n3)c(-c3ccc(Cl)s3)[nH]2)cc1
InChIInChI=1S/C25H19ClFN5S/c26-21-11-10-20(33-21)23-22(31-24(32-23)17-6-8-18(27)9-7-17)19-13-15-29-25(30-19)28-14-12-16-4-2-1-3-5-16/h1-11,13,15H,12,14H2,(H,31,32)(H,28,29,30)
InChIKeyHDURSNDBEPXVPJ-UHFFFAOYSA-N
MW475.98 g/mol
LogP6.71
Rot. Bonds7

About 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine

4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 70103445) has the molecular formula C25H19ClFN5S and a molecular weight of 475.98 g/mol. Its IUPAC name is 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID70103445
Molecular FormulaC25H19ClFN5S
Molecular Weight475.98 g/mol
Exact Mass475.10
IUPAC Name4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc(-c3ccnc(NCCc4ccccc4)n3)c(-c3ccc(Cl)s3)[nH]2)cc1
InChIInChI=1S/C25H19ClFN5S/c26-21-11-10-20(33-21)23-22(31-24(32-23)17-6-8-18(27)9-7-17)19-13-15-29-25(30-19)28-14-12-16-4-2-1-3-5-16/h1-11,13,15H,12,14H2,(H,31,32)(H,28,29,30)
InChIKeyHDURSNDBEPXVPJ-UHFFFAOYSA-N
XLogP6.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine (CID 70103445) is 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine is Fc1ccc(-c2nc(-c3ccnc(NCCc4ccccc4)n3)c(-c3ccc(Cl)s3)[nH]2)cc1.
What is the InChIKey of 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is HDURSNDBEPXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5S/c26-21-11-10-20(33-21)23-22(31-24(32-23)17-6-8-18(27)9-7-17)19-13-15-29-25(30-19)28-14-12-16-4-2-1-3-5-16/h1-11,13,15H,12,14H2,(H,31,32)(H,28,29,30).
What are the key properties of 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 475.98 g/mol, XLogP of 6.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 70103445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).