1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C19H23N5O — CID 90533855

IUPAC1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C19H23N5O/c1-15-20-6-7-23(15)11-8-22-9-12-24(13-10-22)19(25)17-2-3-18-16(14-17)4-5-21-18/h2-7,14,21H,8-13H2,1H3
InChIKeyRZKBDYCLEMMYGD-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.13
Rot. Bonds4

About 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90533855) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90533855
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C19H23N5O/c1-15-20-6-7-23(15)11-8-22-9-12-24(13-10-22)19(25)17-2-3-18-16(14-17)4-5-21-18/h2-7,14,21H,8-13H2,1H3
InChIKeyRZKBDYCLEMMYGD-UHFFFAOYSA-N
XLogP2.13
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1H-indole-5-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916342
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
1H-indol-5-yl-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478992
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 22017541
5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
CID 80640824
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 15166395

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90533855) is 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is Cc1nccn1CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is RZKBDYCLEMMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15-20-6-7-23(15)11-8-22-9-12-24(13-10-22)19(25)17-2-3-18-16(14-17)4-5-21-18/h2-7,14,21H,8-13H2,1H3.
What are the key properties of 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90533855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).