2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C25H28ClN5O — CID 44532664

IUPAC2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCC(NCc2cnc(-c3ccc(Cl)cc3)[nH]2)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H28ClN5O/c26-20-7-5-19(6-8-20)25-28-16-22(29-25)15-27-21-10-12-30(13-11-21)17-24(32)31-14-9-18-3-1-2-4-23(18)31/h1-8,16,21,27H,9-15,17H2,(H,28,29)
InChIKeyNJJZUIYQYQFMOG-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.87
Rot. Bonds6

About 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 44532664) has the molecular formula C25H28ClN5O and a molecular weight of 449.99 g/mol. Its IUPAC name is 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID44532664
Molecular FormulaC25H28ClN5O
Molecular Weight449.99 g/mol
Exact Mass449.20
IUPAC Name2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCC(NCc2cnc(-c3ccc(Cl)cc3)[nH]2)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H28ClN5O/c26-20-7-5-19(6-8-20)25-28-16-22(29-25)15-27-21-10-12-30(13-11-21)17-24(32)31-14-9-18-3-1-2-4-23(18)31/h1-8,16,21,27H,9-15,17H2,(H,28,29)
InChIKeyNJJZUIYQYQFMOG-UHFFFAOYSA-N
XLogP3.87
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone 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-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 44532664) is 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CN1CCC(NCc2cnc(-c3ccc(Cl)cc3)[nH]2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NJJZUIYQYQFMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O/c26-20-7-5-19(6-8-20)25-28-16-22(29-25)15-27-21-10-12-30(13-11-21)17-24(32)31-14-9-18-3-1-2-4-23(18)31/h1-8,16,21,27H,9-15,17H2,(H,28,29).
What are the key properties of 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 449.99 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methylamino]piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 44532664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).