2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol

C20H23FN4OS — CID 24905863

IUPAC2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCSc1nc(-c2ccnc(NC(CO)C(C)C)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H23FN4OS/c1-12(2)16(11-26)23-17-10-14(8-9-22-17)19-18(24-20(25-19)27-3)13-4-6-15(21)7-5-13/h4-10,12,16,26H,11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyNIDKGCPDHANJIH-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.43
Rot. Bonds7

About 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol

2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 24905863) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID24905863
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCSc1nc(-c2ccnc(NC(CO)C(C)C)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H23FN4OS/c1-12(2)16(11-26)23-17-10-14(8-9-22-17)19-18(24-20(25-19)27-3)13-4-6-15(21)7-5-13/h4-10,12,16,26H,11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyNIDKGCPDHANJIH-UHFFFAOYSA-N
XLogP4.43
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol 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 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 24905863) is 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol is CSc1nc(-c2ccnc(NC(CO)C(C)C)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is NIDKGCPDHANJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-12(2)16(11-26)23-17-10-14(8-9-22-17)19-18(24-20(25-19)27-3)13-4-6-15(21)7-5-13/h4-10,12,16,26H,11H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol?
2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 386.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 24905863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).