3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol

C14H18N2O2 — CID 45103807

IUPAC3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESCOc1ccc(Cn2cncc2CCCO)cc1
InChIInChI=1S/C14H18N2O2/c1-18-14-6-4-12(5-7-14)10-16-11-15-9-13(16)3-2-8-17/h4-7,9,11,17H,2-3,8,10H2,1H3
InChIKeyJXKOXHSAQGTKRS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds6

About 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol

3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol (PubChem CID 45103807) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol
PubChem CID45103807
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESCOc1ccc(Cn2cncc2CCCO)cc1
InChIInChI=1S/C14H18N2O2/c1-18-14-6-4-12(5-7-14)10-16-11-15-9-13(16)3-2-8-17/h4-7,9,11,17H,2-3,8,10H2,1H3
InChIKeyJXKOXHSAQGTKRS-UHFFFAOYSA-N
XLogP1.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol (CID 45103807) is 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol is COc1ccc(Cn2cncc2CCCO)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol?
The InChIKey is JXKOXHSAQGTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-14-6-4-12(5-7-14)10-16-11-15-9-13(16)3-2-8-17/h4-7,9,11,17H,2-3,8,10H2,1H3.
What are the key properties of 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol?
3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-1-ol is sourced from PubChem (CID 45103807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).