2-[N-(2-imidazol-1-ylethyl)anilino]ethanol

C13H17N3O — CID 110881478

IUPAC2-[N-(2-imidazol-1-ylethyl)anilino]ethanol
SMILESOCCN(CCn1ccnc1)c1ccccc1
InChIInChI=1S/C13H17N3O/c17-11-10-16(13-4-2-1-3-5-13)9-8-15-7-6-14-12-15/h1-7,12,17H,8-11H2
InChIKeyVXCDNHNGYBEIGN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.38
Rot. Bonds6

About 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol

2-[N-(2-imidazol-1-ylethyl)anilino]ethanol (PubChem CID 110881478) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-imidazol-1-ylethyl)anilino]ethanol
PubChem CID110881478
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[N-(2-imidazol-1-ylethyl)anilino]ethanol
SMILESOCCN(CCn1ccnc1)c1ccccc1
InChIInChI=1S/C13H17N3O/c17-11-10-16(13-4-2-1-3-5-13)9-8-15-7-6-14-12-15/h1-7,12,17H,8-11H2
InChIKeyVXCDNHNGYBEIGN-UHFFFAOYSA-N
XLogP1.38
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
2-[N-(2-imidazol-1-ylethyl)-4-methylanilino]acetic acid
CID 54925615
1-[3-(N-ethylanilino)propyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 111390427
2-imidazol-1-ylethanol
CID 159023310
3-[N-(3-imidazol-1-ylpropanoyl)anilino]propanoic acid
CID 60830430
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854
3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one
CID 46912302
N,N-bis(2-hydroxyethyl)-3-imidazol-1-ylpropanamide
CID 61235262
2-[2-[2-imidazol-1-ylethyl(methyl)amino]ethyl]benzoic acid
CID 104548858
2-[3-chloro-N-(3-imidazol-1-ylpropyl)anilino]acetic acid
CID 61492761
N-(2-imidazol-1-ylethoxy)aniline
CID 91383596

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol?
The IUPAC name of 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol (CID 110881478) is 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol?
The canonical SMILES for 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol is OCCN(CCn1ccnc1)c1ccccc1.
What is the InChIKey of 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol?
The InChIKey is VXCDNHNGYBEIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-11-10-16(13-4-2-1-3-5-13)9-8-15-7-6-14-12-15/h1-7,12,17H,8-11H2.
What are the key properties of 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol?
2-[N-(2-imidazol-1-ylethyl)anilino]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-imidazol-1-ylethyl)anilino]ethanol is sourced from PubChem (CID 110881478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).