2-(1H-imidazol-5-yl)ethanamine;phenol

C11H15N3O — CID 67627701

IUPAC2-(1H-imidazol-5-yl)ethanamine;phenol
SMILESNCCc1cnc[nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H9N3/c7-6-4-2-1-3-5-6;6-2-1-5-3-7-4-8-5/h1-5,7H;3-4H,1-2,6H2,(H,7,8)
InChIKeyUQHPQNWWKDHBKF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.30
Rot. Bonds2

About 2-(1H-imidazol-5-yl)ethanamine;phenol

2-(1H-imidazol-5-yl)ethanamine;phenol (PubChem CID 67627701) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethanamine;phenol.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethanamine;phenol
PubChem CID67627701
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(1H-imidazol-5-yl)ethanamine;phenol
SMILESNCCc1cnc[nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H9N3/c7-6-4-2-1-3-5-6;6-2-1-5-3-7-4-8-5/h1-5,7H;3-4H,1-2,6H2,(H,7,8)
InChIKeyUQHPQNWWKDHBKF-UHFFFAOYSA-N
XLogP1.30
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;2-(1H-imidazol-5-yl)ethanamine
CID 70129922
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
CID 10331400
2-amino-4-methylpentanoic acid;2-(1H-imidazol-5-yl)ethanamine
CID 174496093
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
CID 25239956
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;phenol?
The IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;phenol (CID 67627701) is 2-(1H-imidazol-5-yl)ethanamine;phenol.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethanamine;phenol?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethanamine;phenol is NCCc1cnc[nH]1.Oc1ccccc1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethanamine;phenol?
The InChIKey is UQHPQNWWKDHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H9N3/c7-6-4-2-1-3-5-6;6-2-1-5-3-7-4-8-5/h1-5,7H;3-4H,1-2,6H2,(H,7,8).
What are the key properties of 2-(1H-imidazol-5-yl)ethanamine;phenol?
2-(1H-imidazol-5-yl)ethanamine;phenol has a molecular weight of 205.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethanamine;phenol is sourced from PubChem (CID 67627701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).