N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide

C24H22N6O2 — CID 46952588

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
SMILESO=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NCCc1cnc[nH]1
InChIInChI=1S/C24H22N6O2/c31-23(26-11-10-19-13-25-16-27-19)15-30-24(32)22-12-18-8-4-5-9-21(18)29(22)14-20(28-30)17-6-2-1-3-7-17/h1-9,12-13,16H,10-11,14-15H2,(H,25,27)(H,26,31)
InChIKeyYNCXMXBNNHAWOO-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide (PubChem CID 46952588) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
PubChem CID46952588
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
SMILESO=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NCCc1cnc[nH]1
InChIInChI=1S/C24H22N6O2/c31-23(26-11-10-19-13-25-16-27-19)15-30-24(32)22-12-18-8-4-5-9-21(18)29(22)14-20(28-30)17-6-2-1-3-7-17/h1-9,12-13,16H,10-11,14-15H2,(H,25,27)(H,26,31)
InChIKeyYNCXMXBNNHAWOO-UHFFFAOYSA-N
XLogP2.58
TPSA95.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylindol-1-yl)propanamide
CID 29135832
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
CID 126468478
2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 126468473
2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 16672485
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97208705
N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 56643063
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 99994880
(2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]amino]butanoic acid
CID 18653470
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
2-[5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 4971615

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide (CID 46952588) is N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide is O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
The InChIKey is YNCXMXBNNHAWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-23(26-11-10-19-13-25-16-27-19)15-30-24(32)22-12-18-8-4-5-9-21(18)29(22)14-20(28-30)17-6-2-1-3-7-17/h1-9,12-13,16H,10-11,14-15H2,(H,25,27)(H,26,31).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide has a molecular weight of 426.48 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide is sourced from PubChem (CID 46952588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).