N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine

C25H27FN6S — CID 14013342

IUPACN-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine
SMILESFc1ccc(Cn2c(SC3CCN(CCNc4ncccn4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C25H27FN6S/c26-20-8-6-19(7-9-20)18-32-23-5-2-1-4-22(23)30-25(32)33-21-10-15-31(16-11-21)17-14-29-24-27-12-3-13-28-24/h1-9,12-13,21H,10-11,14-18H2,(H,27,28,29)
InChIKeyDNKFBPZVOGOINZ-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.68
Rot. Bonds8

About N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine

N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine (PubChem CID 14013342) has the molecular formula C25H27FN6S and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine
PubChem CID14013342
Molecular FormulaC25H27FN6S
Molecular Weight462.60 g/mol
Exact Mass462.20
IUPAC NameN-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine
SMILESFc1ccc(Cn2c(SC3CCN(CCNc4ncccn4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C25H27FN6S/c26-20-8-6-19(7-9-20)18-32-23-5-2-1-4-22(23)30-25(32)33-21-10-15-31(16-11-21)17-14-29-24-27-12-3-13-28-24/h1-9,12-13,21H,10-11,14-18H2,(H,27,28,29)
InChIKeyDNKFBPZVOGOINZ-UHFFFAOYSA-N
XLogP4.68
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-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-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine (CID 14013342) is N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine is Fc1ccc(Cn2c(SC3CCN(CCNc4ncccn4)CC3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
The InChIKey is DNKFBPZVOGOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6S/c26-20-8-6-19(7-9-20)18-32-23-5-2-1-4-22(23)30-25(32)33-21-10-15-31(16-11-21)17-14-29-24-27-12-3-13-28-24/h1-9,12-13,21H,10-11,14-18H2,(H,27,28,29).
What are the key properties of N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine has a molecular weight of 462.60 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 14013342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).