N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine

C22H25FN4OS — CID 11502486

IUPACN-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
SMILESCn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C22H25FN4OS/c1-27-21(16-12-13-24-19(14-16)25-18-6-4-3-5-7-18)20(26-22(27)29(2)28)15-8-10-17(23)11-9-15/h8-14,18H,3-7H2,1-2H3,(H,24,25)
InChIKeyZJKMYKOLRJLJBO-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.77
Rot. Bonds5

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

N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine (PubChem CID 11502486) has the molecular formula C22H25FN4OS and a molecular weight of 412.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
PubChem CID11502486
Molecular FormulaC22H25FN4OS
Molecular Weight412.53 g/mol
Exact Mass412.17
IUPAC NameN-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
SMILESCn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C22H25FN4OS/c1-27-21(16-12-13-24-19(14-16)25-18-6-4-3-5-7-18)20(26-22(27)29(2)28)15-8-10-17(23)11-9-15/h8-14,18H,3-7H2,1-2H3,(H,24,25)
InChIKeyZJKMYKOLRJLJBO-UHFFFAOYSA-N
XLogP4.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine (CID 11502486) is N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine is Cn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
The InChIKey is ZJKMYKOLRJLJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS/c1-27-21(16-12-13-24-19(14-16)25-18-6-4-3-5-7-18)20(26-22(27)29(2)28)15-8-10-17(23)11-9-15/h8-14,18H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine has a molecular weight of 412.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 11502486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).