4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole

C26H29FN4S — CID 14013059

IUPAC4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C26H29FN4S/c1-19-28-23(18-32-19)12-15-30-13-10-20(11-14-30)16-26-29-24-4-2-3-5-25(24)31(26)17-21-6-8-22(27)9-7-21/h2-9,18,20H,10-17H2,1H3
InChIKeyNVTAIFIFDXKLAU-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.49
Rot. Bonds7

About 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole

4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 14013059) has the molecular formula C26H29FN4S and a molecular weight of 448.61 g/mol. Its IUPAC name is 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID14013059
Molecular FormulaC26H29FN4S
Molecular Weight448.61 g/mol
Exact Mass448.21
IUPAC Name4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C26H29FN4S/c1-19-28-23(18-32-19)12-15-30-13-10-20(11-14-30)16-26-29-24-4-2-3-5-25(24)31(26)17-21-6-8-22(27)9-7-21/h2-9,18,20H,10-17H2,1H3
InChIKeyNVTAIFIFDXKLAU-UHFFFAOYSA-N
XLogP5.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole 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 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole (CID 14013059) is 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cs1.
What is the InChIKey of 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is NVTAIFIFDXKLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4S/c1-19-28-23(18-32-19)12-15-30-13-10-20(11-14-30)16-26-29-24-4-2-3-5-25(24)31(26)17-21-6-8-22(27)9-7-21/h2-9,18,20H,10-17H2,1H3.
What are the key properties of 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 448.61 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 14013059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).