4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol

C15H21N3O — CID 114708131

IUPAC4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol
SMILESCNC(C)(C)c1cncn1CCc1ccc(O)cc1
InChIInChI=1S/C15H21N3O/c1-15(2,16-3)14-10-17-11-18(14)9-8-12-4-6-13(19)7-5-12/h4-7,10-11,16,19H,8-9H2,1-3H3
InChIKeyRYLPEKGTISGTGF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds5

About 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol

4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol (PubChem CID 114708131) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol
PubChem CID114708131
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol
SMILESCNC(C)(C)c1cncn1CCc1ccc(O)cc1
InChIInChI=1S/C15H21N3O/c1-15(2,16-3)14-10-17-11-18(14)9-8-12-4-6-13(19)7-5-12/h4-7,10-11,16,19H,8-9H2,1-3H3
InChIKeyRYLPEKGTISGTGF-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol (CID 114708131) is 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol is CNC(C)(C)c1cncn1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol?
The InChIKey is RYLPEKGTISGTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,16-3)14-10-17-11-18(14)9-8-12-4-6-13(19)7-5-12/h4-7,10-11,16,19H,8-9H2,1-3H3.
What are the key properties of 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol?
4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]phenol is sourced from PubChem (CID 114708131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).