N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide

C20H19N5O — CID 74251180

IUPACN-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(CCn1ccc2ccccc21)C(=O)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C20H19N5O/c1-24(12-13-25-11-10-15-6-2-5-9-18(15)25)20(26)17-8-4-3-7-16(17)19-21-14-22-23-19/h2-11,14H,12-13H2,1H3,(H,21,22,23)
InChIKeyUGJHFFVQWYLQMM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.20
Rot. Bonds5

About N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide

N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 74251180) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID74251180
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(CCn1ccc2ccccc21)C(=O)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C20H19N5O/c1-24(12-13-25-11-10-15-6-2-5-9-18(15)25)20(26)17-8-4-3-7-16(17)19-21-14-22-23-19/h2-11,14H,12-13H2,1H3,(H,21,22,23)
InChIKeyUGJHFFVQWYLQMM-UHFFFAOYSA-N
XLogP3.20
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide 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-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 74251180) is N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide is CN(CCn1ccc2ccccc21)C(=O)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is UGJHFFVQWYLQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24(12-13-25-11-10-15-6-2-5-9-18(15)25)20(26)17-8-4-3-7-16(17)19-21-14-22-23-19/h2-11,14H,12-13H2,1H3,(H,21,22,23).
What are the key properties of N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 345.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 74251180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).