3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol

C18H18N2O — CID 158313902

IUPAC3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol
SMILESCCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C18H18N2O/c1-2-17-18(15-8-4-3-5-9-15)19-13-20(17)12-14-7-6-10-16(21)11-14/h3-11,13,21H,2,12H2,1H3
InChIKeyOPGCMYHPZPZVCF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.87
Rot. Bonds4

About 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol

3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol (PubChem CID 158313902) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol
PubChem CID158313902
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol
SMILESCCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C18H18N2O/c1-2-17-18(15-8-4-3-5-9-15)19-13-20(17)12-14-7-6-10-16(21)11-14/h3-11,13,21H,2,12H2,1H3
InChIKeyOPGCMYHPZPZVCF-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole
CID 53312404
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CID 157220285
1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157184739
1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157184738
3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
CID 134376608
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
CID 82702929
5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole
CID 167440285
2-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methoxy]isoindole-1,3-dione;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methoxy]isoindole-1,3-dione
CID 160618502
3-[[5-(2-amino-3,3-difluorobutyl)-4-benzylimidazol-1-yl]methyl]phenol
CID 159562587
3-[[5-(2-hydroxypropyl)-4-(1-methyl-3H-pyrazol-1-ium-5-yl)imidazol-1-yl]methyl]phenol
CID 153412254
3-(1-benzyl-4-methylimidazol-2-yl)phenol
CID 83971137
N-(3-benzyl-5-phenylimidazol-4-yl)acetamide
CID 166206532

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol?
The IUPAC name of 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol (CID 158313902) is 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol?
The canonical SMILES for 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol is CCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.
What is the InChIKey of 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol?
The InChIKey is OPGCMYHPZPZVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-17-18(15-8-4-3-5-9-15)19-13-20(17)12-14-7-6-10-16(21)11-14/h3-11,13,21H,2,12H2,1H3.
What are the key properties of 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol?
3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol has a molecular weight of 278.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol is sourced from PubChem (CID 158313902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).