N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine

C24H22ClFN4OS — CID 11784645

IUPACN-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine
SMILESCOc1cc(F)ccc1-c1cnc(SCCN(C)c2ccncc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClFN4OS/c1-29(19-9-11-27-12-10-19)13-14-32-24-28-16-22(21-8-5-18(26)15-23(21)31-2)30(24)20-6-3-17(25)4-7-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyXTOFWFLISCFADX-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.96
Rot. Bonds8

About N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine

N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine (PubChem CID 11784645) has the molecular formula C24H22ClFN4OS and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine
PubChem CID11784645
Molecular FormulaC24H22ClFN4OS
Molecular Weight468.99 g/mol
Exact Mass468.12
IUPAC NameN-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine
SMILESCOc1cc(F)ccc1-c1cnc(SCCN(C)c2ccncc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClFN4OS/c1-29(19-9-11-27-12-10-19)13-14-32-24-28-16-22(21-8-5-18(26)15-23(21)31-2)30(24)20-6-3-17(25)4-7-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyXTOFWFLISCFADX-UHFFFAOYSA-N
XLogP5.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine?
The IUPAC name of N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine (CID 11784645) is N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine is COc1cc(F)ccc1-c1cnc(SCCN(C)c2ccncc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine?
The InChIKey is XTOFWFLISCFADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4OS/c1-29(19-9-11-27-12-10-19)13-14-32-24-28-16-22(21-8-5-18(26)15-23(21)31-2)30(24)20-6-3-17(25)4-7-20/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine?
N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine has a molecular weight of 468.99 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)-5-(4-fluoro-2-methoxyphenyl)imidazol-2-yl]sulfanylethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 11784645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).