N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide

C38H42FN5O2 — CID 15410386

IUPACN-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide
SMILESCOc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C38H42FN5O2/c1-42(37(45)30-8-4-3-5-9-30)27-31(29-14-18-34(46-2)19-15-29)20-23-43-24-21-33(22-25-43)40-38-41-35-10-6-7-11-36(35)44(38)26-28-12-16-32(39)17-13-28/h3-19,31,33H,20-27H2,1-2H3,(H,40,41)
InChIKeyNGLYPIOEURPFHB-UHFFFAOYSA-N
MW619.79 g/mol
LogP7.05
Rot. Bonds12

About N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide

N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide (PubChem CID 15410386) has the molecular formula C38H42FN5O2 and a molecular weight of 619.79 g/mol. Its IUPAC name is N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide
PubChem CID15410386
Molecular FormulaC38H42FN5O2
Molecular Weight619.79 g/mol
Exact Mass619.33
IUPAC NameN-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide
SMILESCOc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C38H42FN5O2/c1-42(37(45)30-8-4-3-5-9-30)27-31(29-14-18-34(46-2)19-15-29)20-23-43-24-21-33(22-25-43)40-38-41-35-10-6-7-11-36(35)44(38)26-28-12-16-32(39)17-13-28/h3-19,31,33H,20-27H2,1-2H3,(H,40,41)
InChIKeyNGLYPIOEURPFHB-UHFFFAOYSA-N
XLogP7.05
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.79
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide 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-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide?
The IUPAC name of N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide (CID 15410386) is N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide is COc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CN(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide?
The InChIKey is NGLYPIOEURPFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42FN5O2/c1-42(37(45)30-8-4-3-5-9-30)27-31(29-14-18-34(46-2)19-15-29)20-23-43-24-21-33(22-25-43)40-38-41-35-10-6-7-11-36(35)44(38)26-28-12-16-32(39)17-13-28/h3-19,31,33H,20-27H2,1-2H3,(H,40,41).
What are the key properties of N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide?
N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide has a molecular weight of 619.79 g/mol, XLogP of 7.05, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-(4-methoxyphenyl)butyl]-N-methylbenzamide is sourced from PubChem (CID 15410386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).