4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide

C13H19BrN2O — CID 66856119

IUPAC4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide
SMILESBr.Cc1c(O)ccc(C(C)C2=NCCN2)c1C
InChIInChI=1S/C13H18N2O.BrH/c1-8-9(2)12(16)5-4-11(8)10(3)13-14-6-7-15-13;/h4-5,10,16H,6-7H2,1-3H3,(H,14,15);1H
InChIKeyMDWBCCTTWPWZLC-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.69
Rot. Bonds2

About 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide

4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide (PubChem CID 66856119) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide.

Molecular Properties

Compound Name4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide
PubChem CID66856119
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide
SMILESBr.Cc1c(O)ccc(C(C)C2=NCCN2)c1C
InChIInChI=1S/C13H18N2O.BrH/c1-8-9(2)12(16)5-4-11(8)10(3)13-14-6-7-15-13;/h4-5,10,16H,6-7H2,1-3H3,(H,14,15);1H
InChIKeyMDWBCCTTWPWZLC-UHFFFAOYSA-N
XLogP2.69
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide?
The IUPAC name of 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide (CID 66856119) is 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide.
What is the SMILES notation for 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide?
The canonical SMILES for 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide is Br.Cc1c(O)ccc(C(C)C2=NCCN2)c1C.
What is the InChIKey of 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide?
The InChIKey is MDWBCCTTWPWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.BrH/c1-8-9(2)12(16)5-4-11(8)10(3)13-14-6-7-15-13;/h4-5,10,16H,6-7H2,1-3H3,(H,14,15);1H.
What are the key properties of 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide?
4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide has a molecular weight of 299.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide is sourced from PubChem (CID 66856119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).