2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol

C15H21N3O — CID 102969561

IUPAC2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
SMILESCC(C)C(N)c1cncn1-c1ccc(CCO)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)15(16)14-9-17-10-18(14)13-5-3-12(4-6-13)7-8-19/h3-6,9-11,15,19H,7-8,16H2,1-2H3
InChIKeyUWKGZLSIVHFGAC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol

2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol (PubChem CID 102969561) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
PubChem CID102969561
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
SMILESCC(C)C(N)c1cncn1-c1ccc(CCO)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)15(16)14-9-17-10-18(14)13-5-3-12(4-6-13)7-8-19/h3-6,9-11,15,19H,7-8,16H2,1-2H3
InChIKeyUWKGZLSIVHFGAC-UHFFFAOYSA-N
XLogP2.06
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
CID 104942381
2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
CID 102969409
2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine
CID 102969698
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969634
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969902
2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 102969562
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
(1S)-1-[3-(4-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 104941738
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol (CID 102969561) is 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol is CC(C)C(N)c1cncn1-c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol?
The InChIKey is UWKGZLSIVHFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15(16)14-9-17-10-18(14)13-5-3-12(4-6-13)7-8-19/h3-6,9-11,15,19H,7-8,16H2,1-2H3.
What are the key properties of 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol?
2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 102969561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).