2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol

C13H17N3O — CID 22005606

IUPAC2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol
SMILESCCc1[nH]c(N)nc1C(C)c1ccccc1O
InChIInChI=1S/C13H17N3O/c1-3-10-12(16-13(14)15-10)8(2)9-6-4-5-7-11(9)17/h4-8,17H,3H2,1-2H3,(H3,14,15,16)
InChIKeyCQFDACOXCOOPJL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.41
Rot. Bonds3

About 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol

2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol (PubChem CID 22005606) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol
PubChem CID22005606
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol
SMILESCCc1[nH]c(N)nc1C(C)c1ccccc1O
InChIInChI=1S/C13H17N3O/c1-3-10-12(16-13(14)15-10)8(2)9-6-4-5-7-11(9)17/h4-8,17H,3H2,1-2H3,(H3,14,15,16)
InChIKeyCQFDACOXCOOPJL-UHFFFAOYSA-N
XLogP2.41
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol?
The IUPAC name of 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol (CID 22005606) is 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol?
The canonical SMILES for 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol is CCc1[nH]c(N)nc1C(C)c1ccccc1O.
What is the InChIKey of 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol?
The InChIKey is CQFDACOXCOOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-10-12(16-13(14)15-10)8(2)9-6-4-5-7-11(9)17/h4-8,17H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol?
2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-ethyl-1H-imidazol-4-yl)ethyl]phenol is sourced from PubChem (CID 22005606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).