3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol

C17H15ClN2O — CID 82560019

IUPAC3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2Cc2ccccc2Cl)c1
InChIInChI=1S/C17H15ClN2O/c18-16-7-2-1-5-14(16)11-17-19-8-9-20(17)12-13-4-3-6-15(21)10-13/h1-10,21H,11-12H2
InChIKeyONALGLSGDZDHDE-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.88
Rot. Bonds4

About 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol

3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol (PubChem CID 82560019) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
PubChem CID82560019
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2Cc2ccccc2Cl)c1
InChIInChI=1S/C17H15ClN2O/c18-16-7-2-1-5-14(16)11-17-19-8-9-20(17)12-13-4-3-6-15(21)10-13/h1-10,21H,11-12H2
InChIKeyONALGLSGDZDHDE-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560021
3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560208
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 56791413
2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol
CID 82560146
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937
3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
CID 82560859
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol (CID 82560019) is 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol is Oc1cccc(Cn2ccnc2Cc2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol?
The InChIKey is ONALGLSGDZDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-16-7-2-1-5-14(16)11-17-19-8-9-20(17)12-13-4-3-6-15(21)10-13/h1-10,21H,11-12H2.
What are the key properties of 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol?
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol has a molecular weight of 298.77 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).