4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol

C17H18N2O2 — CID 10902073

IUPAC4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@H]1NC=N[C@H]1c1ccc(O)cc1C
InChIInChI=1S/C17H18N2O2/c1-10-7-12(20)3-5-14(10)16-17(19-9-18-16)15-6-4-13(21)8-11(15)2/h3-9,16-17,20-21H,1-2H3,(H,18,19)/t16-,17+
InChIKeyVFJQKNRIKWZSHS-CALCHBBNSA-N
MW282.34 g/mol
LogP3.13
Rot. Bonds2

About 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol

4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol (PubChem CID 10902073) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol
PubChem CID10902073
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@H]1NC=N[C@H]1c1ccc(O)cc1C
InChIInChI=1S/C17H18N2O2/c1-10-7-12(20)3-5-14(10)16-17(19-9-18-16)15-6-4-13(21)8-11(15)2/h3-9,16-17,20-21H,1-2H3,(H,18,19)/t16-,17+
InChIKeyVFJQKNRIKWZSHS-CALCHBBNSA-N
XLogP3.13
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol?
The IUPAC name of 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol (CID 10902073) is 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol.
What is the SMILES notation for 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol?
The canonical SMILES for 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol is Cc1cc(O)ccc1[C@H]1NC=N[C@H]1c1ccc(O)cc1C.
What is the InChIKey of 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol?
The InChIKey is VFJQKNRIKWZSHS-CALCHBBNSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-7-12(20)3-5-14(10)16-17(19-9-18-16)15-6-4-13(21)8-11(15)2/h3-9,16-17,20-21H,1-2H3,(H,18,19)/t16-,17+.
What are the key properties of 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol?
4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol has a molecular weight of 282.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S,5R)-4-(4-hydroxy-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylphenol is sourced from PubChem (CID 10902073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).