4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol

C16H17N3O — CID 79498766

IUPAC4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESCc1ccc(N2C(N)=NCC2c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17N3O/c1-11-2-6-13(7-3-11)19-15(10-18-16(19)17)12-4-8-14(20)9-5-12/h2-9,15,20H,10H2,1H3,(H2,17,18)
InChIKeyUKLZWLDIDOJHFY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.58
Rot. Bonds2

About 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol

4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol (PubChem CID 79498766) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol
PubChem CID79498766
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESCc1ccc(N2C(N)=NCC2c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17N3O/c1-11-2-6-13(7-3-11)19-15(10-18-16(19)17)12-4-8-14(20)9-5-12/h2-9,15,20H,10H2,1H3,(H2,17,18)
InChIKeyUKLZWLDIDOJHFY-UHFFFAOYSA-N
XLogP2.58
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The IUPAC name of 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol (CID 79498766) is 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol.
What is the SMILES notation for 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The canonical SMILES for 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol is Cc1ccc(N2C(N)=NCC2c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The InChIKey is UKLZWLDIDOJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-2-6-13(7-3-11)19-15(10-18-16(19)17)12-4-8-14(20)9-5-12/h2-9,15,20H,10H2,1H3,(H2,17,18).
What are the key properties of 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol?
4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol has a molecular weight of 267.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(4-methylphenyl)-4,5-dihydroimidazol-4-yl]phenol is sourced from PubChem (CID 79498766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).