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

C20H25N5O2 — CID 90683531

IUPAC(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
SMILESCc1cc2cc(OCCN3CCN(C(=O)c4cn(C)cn4)CC3)ccc2[nH]1
InChIInChI=1S/C20H25N5O2/c1-15-11-16-12-17(3-4-18(16)22-15)27-10-9-24-5-7-25(8-6-24)20(26)19-13-23(2)14-21-19/h3-4,11-14,22H,5-10H2,1-2H3
InChIKeyGVHFUPNHNGEZBV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.05
Rot. Bonds5

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

(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone (PubChem CID 90683531) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
PubChem CID90683531
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
SMILESCc1cc2cc(OCCN3CCN(C(=O)c4cn(C)cn4)CC3)ccc2[nH]1
InChIInChI=1S/C20H25N5O2/c1-15-11-16-12-17(3-4-18(16)22-15)27-10-9-24-5-7-25(8-6-24)20(26)19-13-23(2)14-21-19/h3-4,11-14,22H,5-10H2,1-2H3
InChIKeyGVHFUPNHNGEZBV-UHFFFAOYSA-N
XLogP2.05
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
CID 90683523
N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 159741679
[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone
CID 90683533
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 71724969
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46964948
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
methyl 4-[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzoate
CID 55827793
2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate
CID 59303242
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone (CID 90683531) is (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone is Cc1cc2cc(OCCN3CCN(C(=O)c4cn(C)cn4)CC3)ccc2[nH]1.
What is the InChIKey of (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
The InChIKey is GVHFUPNHNGEZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-11-16-12-17(3-4-18(16)22-15)27-10-9-24-5-7-25(8-6-24)20(26)19-13-23(2)14-21-19/h3-4,11-14,22H,5-10H2,1-2H3.
What are the key properties of (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90683531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).