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

C19H21FN4OS — CID 24810307

IUPAC4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1
InChIInChI=1S/C19H21FN4OS/c1-24-18(14-8-9-21-16(12-14)22-10-11-25-2)17(23-19(24)26-3)13-4-6-15(20)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyVVUQUDHAUXHAKF-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.07
Rot. Bonds7

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

4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 24810307) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID24810307
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1
InChIInChI=1S/C19H21FN4OS/c1-24-18(14-8-9-21-16(12-14)22-10-11-25-2)17(23-19(24)26-3)13-4-6-15(20)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyVVUQUDHAUXHAKF-UHFFFAOYSA-N
XLogP4.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11732208
1-[[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]propan-2-ol
CID 44568225
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 90666078
N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-3-(4-methoxyphenyl)propanamide
CID 45138071
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
N-cycloheptyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11691317
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
4-[2-(3-chloropropylsulfanyl)-5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyridine
CID 58752317
N-(1-benzylpiperidin-4-yl)-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 24810620
N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11669080
N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11502486
N-[4-[5-(4-ethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanyl-3-methylimidazol-4-yl]-2-pyridinyl]acetamide;3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylpropane-1,2-diol
CID 142830706

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine (CID 24810307) is 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine is COCCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is VVUQUDHAUXHAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-24-18(14-8-9-21-16(12-14)22-10-11-25-2)17(23-19(24)26-3)13-4-6-15(20)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 372.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 24810307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).