4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol

C15H23N3O — CID 79497893

IUPAC4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol
SMILESCc1cc(C2CN=C(N)N2CC(C)C)cc(C)c1O
InChIInChI=1S/C15H23N3O/c1-9(2)8-18-13(7-17-15(18)16)12-5-10(3)14(19)11(4)6-12/h5-6,9,13,19H,7-8H2,1-4H3,(H2,16,17)
InChIKeyMPXCRUBGXGUJNS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.34
Rot. Bonds3

About 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol

4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol (PubChem CID 79497893) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol
PubChem CID79497893
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol
SMILESCc1cc(C2CN=C(N)N2CC(C)C)cc(C)c1O
InChIInChI=1S/C15H23N3O/c1-9(2)8-18-13(7-17-15(18)16)12-5-10(3)14(19)11(4)6-12/h5-6,9,13,19H,7-8H2,1-4H3,(H2,16,17)
InChIKeyMPXCRUBGXGUJNS-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol
CID 79509280
5-(3-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79496595
5-(1-ethylpyrazol-4-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 103571063
5-(2,5-dimethylthiophen-3-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79496782
5-(3-ethoxyphenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79498860
1-(2-methylpropyl)-5-quinolin-6-yl-4,5-dihydroimidazol-2-amine
CID 79497322
5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79496464
1-(2-methylpropyl)-5-naphthalen-1-yl-4,5-dihydroimidazol-2-amine
CID 15264494
1-(2-methylpropyl)-5-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79496781
5-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 107126020
3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
CID 79510385
1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79500886

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol (CID 79497893) is 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol is Cc1cc(C2CN=C(N)N2CC(C)C)cc(C)c1O.
What is the InChIKey of 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol?
The InChIKey is MPXCRUBGXGUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(2)8-18-13(7-17-15(18)16)12-5-10(3)14(19)11(4)6-12/h5-6,9,13,19H,7-8H2,1-4H3,(H2,16,17).
What are the key properties of 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol?
4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol has a molecular weight of 261.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2,6-dimethylphenol is sourced from PubChem (CID 79497893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).