2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide

C12H23BrN4O2 — CID 89439915

IUPAC2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide
SMILESBr.CCN1C=CN(CCO)C1N1C=CN(CCO)C1
InChIInChI=1S/C12H22N4O2.BrH/c1-2-14-5-6-15(8-10-18)12(14)16-4-3-13(11-16)7-9-17;/h3-6,12,17-18H,2,7-11H2,1H3;1H
InChIKeyDBIPDPSEKFZAJA-UHFFFAOYSA-N
MW335.25 g/mol
LogP-0.01
Rot. Bonds6

About 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide

2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide (PubChem CID 89439915) has the molecular formula C12H23BrN4O2 and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide.

Molecular Properties

Compound Name2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide
PubChem CID89439915
Molecular FormulaC12H23BrN4O2
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC Name2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide
SMILESBr.CCN1C=CN(CCO)C1N1C=CN(CCO)C1
InChIInChI=1S/C12H22N4O2.BrH/c1-2-14-5-6-15(8-10-18)12(14)16-4-3-13(11-16)7-9-17;/h3-6,12,17-18H,2,7-11H2,1H3;1H
InChIKeyDBIPDPSEKFZAJA-UHFFFAOYSA-N
XLogP-0.01
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide with MolForge

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Related Compounds

1-(2-Hydroxyethyl)-3-methylimidazole
CID 57351561
2-(3-butyl-2H-imidazol-1-yl)ethanol
CID 52911375
2-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]ethanol
CID 57832174
2-[3-[[3-(2-hydroxyethyl)-2H-imidazol-1-yl]methyl]-2H-imidazol-1-yl]ethanol
CID 58221260
2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol
CID 68419011
2-(3-ethyl-2H-imidazol-1-yl)ethanol
CID 68799429
2-(3-propyl-2H-imidazol-1-yl)ethanol
CID 68799972
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol
CID 91579828
1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-ol
CID 101541875
CID 122210238
CID 122210238
2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol
CID 150454579

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide?
The IUPAC name of 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide (CID 89439915) is 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide.
What is the SMILES notation for 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide?
The canonical SMILES for 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide is Br.CCN1C=CN(CCO)C1N1C=CN(CCO)C1.
What is the InChIKey of 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide?
The InChIKey is DBIPDPSEKFZAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.BrH/c1-2-14-5-6-15(8-10-18)12(14)16-4-3-13(11-16)7-9-17;/h3-6,12,17-18H,2,7-11H2,1H3;1H.
What are the key properties of 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide?
2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide has a molecular weight of 335.25 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide is sourced from PubChem (CID 89439915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).