N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine

C18H19ClFN5OS — CID 177133833

IUPACN-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine
SMILES[H]N=S(C)(=O)c1nc(C(Nc2ccc(F)c(C)n2)c2cccc(Cl)c2)[nH]c1C
InChIInChI=1S/C18H19ClFN5OS/c1-10-14(20)7-8-15(22-10)24-16(12-5-4-6-13(19)9-12)17-23-11(2)18(25-17)27(3,21)26/h4-9,16,21H,1-3H3,(H,22,24)(H,23,25)
InChIKeyDADNRGHOTNWIBC-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.45
Rot. Bonds5

About N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine

N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine (PubChem CID 177133833) has the molecular formula C18H19ClFN5OS and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine
PubChem CID177133833
Molecular FormulaC18H19ClFN5OS
Molecular Weight407.90 g/mol
Exact Mass407.10
IUPAC NameN-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine
SMILES[H]N=S(C)(=O)c1nc(C(Nc2ccc(F)c(C)n2)c2cccc(Cl)c2)[nH]c1C
InChIInChI=1S/C18H19ClFN5OS/c1-10-14(20)7-8-15(22-10)24-16(12-5-4-6-13(19)9-12)17-23-11(2)18(25-17)27(3,21)26/h4-9,16,21H,1-3H3,(H,22,24)(H,23,25)
InChIKeyDADNRGHOTNWIBC-UHFFFAOYSA-N
XLogP4.45
TPSA94.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine (CID 177133833) is N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine is [H]N=S(C)(=O)c1nc(C(Nc2ccc(F)c(C)n2)c2cccc(Cl)c2)[nH]c1C.
What is the InChIKey of N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine?
The InChIKey is DADNRGHOTNWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5OS/c1-10-14(20)7-8-15(22-10)24-16(12-5-4-6-13(19)9-12)17-23-11(2)18(25-17)27(3,21)26/h4-9,16,21H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine?
N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine has a molecular weight of 407.90 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-5-fluoro-6-methylpyridin-2-amine is sourced from PubChem (CID 177133833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).