N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide

C25H29N5O3 — CID 10527410

IUPACN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12
InChIInChI=1S/C25H29N5O3/c1-29(2)12-11-19-20-14-17(10-13-30-22(31)16-27-25(30)33)8-9-21(20)28-23(19)24(32)26-15-18-6-4-3-5-7-18/h3-9,14,28H,10-13,15-16H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyXNYZVNPZYYCDAU-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.30
Rot. Bonds9

About N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide

N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 10527410) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID10527410
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12
InChIInChI=1S/C25H29N5O3/c1-29(2)12-11-19-20-14-17(10-13-30-22(31)16-27-25(30)33)8-9-21(20)28-23(19)24(32)26-15-18-6-4-3-5-7-18/h3-9,14,28H,10-13,15-16H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyXNYZVNPZYYCDAU-UHFFFAOYSA-N
XLogP2.30
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide 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-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (CID 10527410) is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12.
What is the InChIKey of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is XNYZVNPZYYCDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29(2)12-11-19-20-14-17(10-13-30-22(31)16-27-25(30)33)8-9-21(20)28-23(19)24(32)26-15-18-6-4-3-5-7-18/h3-9,14,28H,10-13,15-16H2,1-2H3,(H,26,32)(H,27,33).
What are the key properties of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10527410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).