N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

C24H29FN4OS — CID 44568220

IUPACN-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCOCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C24H29FN4OS/c1-30-15-14-29-23(22(28-24(29)31-2)17-8-10-19(25)11-9-17)18-12-13-26-21(16-18)27-20-6-4-3-5-7-20/h8-13,16,20H,3-7,14-15H2,1-2H3,(H,26,27)
InChIKeyOOKDYIKDKLFLOG-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.86
Rot. Bonds8

About N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (PubChem CID 44568220) has the molecular formula C24H29FN4OS and a molecular weight of 440.59 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
PubChem CID44568220
Molecular FormulaC24H29FN4OS
Molecular Weight440.59 g/mol
Exact Mass440.20
IUPAC NameN-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCOCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C24H29FN4OS/c1-30-15-14-29-23(22(28-24(29)31-2)17-8-10-19(25)11-9-17)18-12-13-26-21(16-18)27-20-6-4-3-5-7-20/h8-13,16,20H,3-7,14-15H2,1-2H3,(H,26,27)
InChIKeyOOKDYIKDKLFLOG-UHFFFAOYSA-N
XLogP5.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (CID 44568220) is N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The InChIKey is OOKDYIKDKLFLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4OS/c1-30-15-14-29-23(22(28-24(29)31-2)17-8-10-19(25)11-9-17)18-12-13-26-21(16-18)27-20-6-4-3-5-7-20/h8-13,16,20H,3-7,14-15H2,1-2H3,(H,26,27).
What are the key properties of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine has a molecular weight of 440.59 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 44568220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).