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

C14H22N4O — CID 79496558

IUPAC4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol
SMILESCN(C)CCN1C(N)=NCC1(C)c1ccc(O)cc1
InChIInChI=1S/C14H22N4O/c1-14(11-4-6-12(19)7-5-11)10-16-13(15)18(14)9-8-17(2)3/h4-7,19H,8-10H2,1-3H3,(H2,15,16)
InChIKeyIQPUALADFHMSCY-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.80
Rot. Bonds4

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

4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol (PubChem CID 79496558) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol
PubChem CID79496558
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol
SMILESCN(C)CCN1C(N)=NCC1(C)c1ccc(O)cc1
InChIInChI=1S/C14H22N4O/c1-14(11-4-6-12(19)7-5-11)10-16-13(15)18(14)9-8-17(2)3/h4-7,19H,8-10H2,1-3H3,(H2,15,16)
InChIKeyIQPUALADFHMSCY-UHFFFAOYSA-N
XLogP0.80
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682607
4-[[(4R)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682597
4-[[(4S)-2-amino-3-(4-cyclohexylbutyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682610
4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682611
4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682618
4-[[(4R)-2-amino-3-butyl-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682619
4-[[(4S)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682620
4-[[(4S)-2-amino-3-butyl-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16745778
4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
CID 11414859
4-[(4R,5S)-4-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]phenol
CID 44383931
4-[[(4S)-2-amino-1-benzyl-4,5-dihydroimidazol-4-yl]methyl]phenol;hydrochloride
CID 127039486
Rhcbz
CID 128377

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol?
The IUPAC name of 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol (CID 79496558) is 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol is CN(C)CCN1C(N)=NCC1(C)c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol?
The InChIKey is IQPUALADFHMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(11-4-6-12(19)7-5-11)10-16-13(15)18(14)9-8-17(2)3/h4-7,19H,8-10H2,1-3H3,(H2,15,16).
What are the key properties of 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol?
4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol has a molecular weight of 262.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol is sourced from PubChem (CID 79496558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).