2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol

C13H17N3O — CID 104942381

IUPAC2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
SMILESC[C@@H](N)c1cncn1-c1ccc(CCO)cc1
InChIInChI=1S/C13H17N3O/c1-10(14)13-8-15-9-16(13)12-4-2-11(3-5-12)6-7-17/h2-5,8-10,17H,6-7,14H2,1H3/t10-/m1/s1
InChIKeyJGZSVLXTXXDZKE-SNVBAGLBSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds4

About 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol

2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol (PubChem CID 104942381) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
PubChem CID104942381
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
SMILESC[C@@H](N)c1cncn1-c1ccc(CCO)cc1
InChIInChI=1S/C13H17N3O/c1-10(14)13-8-15-9-16(13)12-4-2-11(3-5-12)6-7-17/h2-5,8-10,17H,6-7,14H2,1H3/t10-/m1/s1
InChIKeyJGZSVLXTXXDZKE-SNVBAGLBSA-N
XLogP1.43
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
CID 102969561
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
(1S)-1-[3-(4-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 104941738
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
(1S)-1-[3-(4-methylsulfonylphenyl)imidazol-4-yl]ethanamine
CID 104942096
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine
CID 114705855
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831
1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-4-yl]ethanamine
CID 114702866
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol (CID 104942381) is 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol is C[C@@H](N)c1cncn1-c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol?
The InChIKey is JGZSVLXTXXDZKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(14)13-8-15-9-16(13)12-4-2-11(3-5-12)6-7-17/h2-5,8-10,17H,6-7,14H2,1H3/t10-/m1/s1.
What are the key properties of 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol?
2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 104942381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).