4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol

C12H16N2O — CID 58951794

IUPAC4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol
SMILESCc1cc(CC2=NCCN2)c(C)cc1O
InChIInChI=1S/C12H16N2O/c1-8-6-11(15)9(2)5-10(8)7-12-13-3-4-14-12/h5-6,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyRXLWGCHCALYBPA-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.55
Rot. Bonds2

About 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol

4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol (PubChem CID 58951794) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol
PubChem CID58951794
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol
SMILESCc1cc(CC2=NCCN2)c(C)cc1O
InChIInChI=1S/C12H16N2O/c1-8-6-11(15)9(2)5-10(8)7-12-13-3-4-14-12/h5-6,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyRXLWGCHCALYBPA-UHFFFAOYSA-N
XLogP1.55
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol (CID 58951794) is 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol is Cc1cc(CC2=NCCN2)c(C)cc1O.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol?
The InChIKey is RXLWGCHCALYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-6-11(15)9(2)5-10(8)7-12-13-3-4-14-12/h5-6,15H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol?
4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol has a molecular weight of 204.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenol is sourced from PubChem (CID 58951794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).