4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol

C15H23N3O — CID 16682607

IUPAC4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESCC(C)(C)CN1C(N)=NC[C@H]1Cc1ccc(O)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,3)10-18-12(9-17-14(18)16)8-11-4-6-13(19)7-5-11/h4-7,12,19H,8-10H2,1-3H3,(H2,16,17)/t12-/m1/s1
InChIKeyPRKWVLYJJAAFPU-GFCCVEGCSA-N
MW261.37 g/mol
LogP1.98
Rot. Bonds3

About 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol

4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol (PubChem CID 16682607) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
PubChem CID16682607
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESCC(C)(C)CN1C(N)=NC[C@H]1Cc1ccc(O)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,3)10-18-12(9-17-14(18)16)8-11-4-6-13(19)7-5-11/h4-7,12,19H,8-10H2,1-3H3,(H2,16,17)/t12-/m1/s1
InChIKeyPRKWVLYJJAAFPU-GFCCVEGCSA-N
XLogP1.98
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The IUPAC name of 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol (CID 16682607) is 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The canonical SMILES for 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol is CC(C)(C)CN1C(N)=NC[C@H]1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The InChIKey is PRKWVLYJJAAFPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)10-18-12(9-17-14(18)16)8-11-4-6-13(19)7-5-11/h4-7,12,19H,8-10H2,1-3H3,(H2,16,17)/t12-/m1/s1.
What are the key properties of 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol has a molecular weight of 261.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol is sourced from PubChem (CID 16682607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).