N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine

C23H27FN4S — CID 53237689

IUPACN-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine
SMILESCC(C)Sc1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H27FN4S/c1-15(2)29-23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyKAKPVALXSVEUNX-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.52
Rot. Bonds6

About N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine

N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine (PubChem CID 53237689) has the molecular formula C23H27FN4S and a molecular weight of 410.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine
PubChem CID53237689
Molecular FormulaC23H27FN4S
Molecular Weight410.56 g/mol
Exact Mass410.19
IUPAC NameN-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine
SMILESCC(C)Sc1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H27FN4S/c1-15(2)29-23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyKAKPVALXSVEUNX-UHFFFAOYSA-N
XLogP6.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine (CID 53237689) is N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine is CC(C)Sc1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine?
The InChIKey is KAKPVALXSVEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4S/c1-15(2)29-23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine?
N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine has a molecular weight of 410.56 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(4-fluorophenyl)-2-propan-2-ylsulfanyl-1H-imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 53237689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).