2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol

C12H22N4O — CID 66134960

IUPAC2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)N1CCCNCC1
InChIInChI=1S/C12H22N4O/c1-2-15-10-14-8-11(15)12(9-17)16-6-3-4-13-5-7-16/h8,10,12-13,17H,2-7,9H2,1H3
InChIKeyAJPXAQGFKPDNAA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.23
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol

2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66134960) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol
PubChem CID66134960
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)N1CCCNCC1
InChIInChI=1S/C12H22N4O/c1-2-15-10-14-8-11(15)12(9-17)16-6-3-4-13-5-7-16/h8,10,12-13,17H,2-7,9H2,1H3
InChIKeyAJPXAQGFKPDNAA-UHFFFAOYSA-N
XLogP0.23
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133686
1-(1-pyridin-4-ylpropyl)-1,4-diazepane
CID 3349010
2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol
CID 82283979
(3-ethylimidazol-4-yl)-piperazin-1-ylmethanone
CID 83883937
2-(1,4-diazepan-1-yl)-2-(3,5-dimethoxyphenyl)ethanol
CID 61050429
2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133264
2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol
CID 61055312
2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
CID 61048843
2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66134135
2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 66134503
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol (CID 66134960) is 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(CO)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is AJPXAQGFKPDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-15-10-14-8-11(15)12(9-17)16-6-3-4-13-5-7-16/h8,10,12-13,17H,2-7,9H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol?
2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66134960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).