4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol

C19H20N2O — CID 42642929

IUPAC4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol
SMILESCCC(c1ccc(-c2ccc(O)c(C)c2)cc1)n1ccnc1
InChIInChI=1S/C19H20N2O/c1-3-18(21-11-10-20-13-21)16-6-4-15(5-7-16)17-8-9-19(22)14(2)12-17/h4-13,18,22H,3H2,1-2H3
InChIKeyVPMJSXBNLXRLAP-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.56
Rot. Bonds4

About 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol

4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol (PubChem CID 42642929) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol.

Molecular Properties

Compound Name4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol
PubChem CID42642929
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol
SMILESCCC(c1ccc(-c2ccc(O)c(C)c2)cc1)n1ccnc1
InChIInChI=1S/C19H20N2O/c1-3-18(21-11-10-20-13-21)16-6-4-15(5-7-16)17-8-9-19(22)14(2)12-17/h4-13,18,22H,3H2,1-2H3
InChIKeyVPMJSXBNLXRLAP-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol?
The IUPAC name of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol (CID 42642929) is 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol.
What is the SMILES notation for 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol?
The canonical SMILES for 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol is CCC(c1ccc(-c2ccc(O)c(C)c2)cc1)n1ccnc1.
What is the InChIKey of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol?
The InChIKey is VPMJSXBNLXRLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-18(21-11-10-20-13-21)16-6-4-15(5-7-16)17-8-9-19(22)14(2)12-17/h4-13,18,22H,3H2,1-2H3.
What are the key properties of 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol?
4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol has a molecular weight of 292.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol is sourced from PubChem (CID 42642929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).