[1H-imidazol-5-yl(phenyl)methyl] formate

C11H10N2O2 — CID 174651841

IUPAC[1H-imidazol-5-yl(phenyl)methyl] formate
SMILESO=COC(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H10N2O2/c14-8-15-11(10-6-12-7-13-10)9-4-2-1-3-5-9/h1-8,11H,(H,12,13)
InChIKeyLAHZDAQNJKWBOO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.67
Rot. Bonds4

About [1H-imidazol-5-yl(phenyl)methyl] formate

[1H-imidazol-5-yl(phenyl)methyl] formate (PubChem CID 174651841) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is [1H-imidazol-5-yl(phenyl)methyl] formate.

Molecular Properties

Compound Name[1H-imidazol-5-yl(phenyl)methyl] formate
PubChem CID174651841
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name[1H-imidazol-5-yl(phenyl)methyl] formate
SMILESO=COC(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H10N2O2/c14-8-15-11(10-6-12-7-13-10)9-4-2-1-3-5-9/h1-8,11H,(H,12,13)
InChIKeyLAHZDAQNJKWBOO-UHFFFAOYSA-N
XLogP1.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [1H-imidazol-5-yl(phenyl)methyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
3-[1H-imidazol-5-yl(phenyl)methyl]benzenethiol
CID 143835490
[2-(1H-imidazol-5-yl)-1-pyridin-3-ylethyl] formate
CID 174680806
N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 164896206
4-[ethoxy(1H-imidazol-5-yl)methyl]benzonitrile
CID 123506986
[(1R)-1-phenylethyl] formate
CID 76963066
[2-(1H-imidazol-5-yl)-3-naphthalen-1-ylpropyl] formate
CID 174764559
1-ethyl-4-[7-[1H-imidazol-5-yl(phenyl)methoxy]naphthalen-1-yl]piperazine
CID 22115706
[2-(4-amino-1H-imidazol-5-yl)-1-phenylethyl] formate
CID 174522549
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-1H-imidazole
CID 70163834
1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide
CID 126519994

Frequently Asked Questions

What is the IUPAC name of [1H-imidazol-5-yl(phenyl)methyl] formate?
The IUPAC name of [1H-imidazol-5-yl(phenyl)methyl] formate (CID 174651841) is [1H-imidazol-5-yl(phenyl)methyl] formate.
What is the SMILES notation for [1H-imidazol-5-yl(phenyl)methyl] formate?
The canonical SMILES for [1H-imidazol-5-yl(phenyl)methyl] formate is O=COC(c1ccccc1)c1cnc[nH]1.
What is the InChIKey of [1H-imidazol-5-yl(phenyl)methyl] formate?
The InChIKey is LAHZDAQNJKWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-8-15-11(10-6-12-7-13-10)9-4-2-1-3-5-9/h1-8,11H,(H,12,13).
What are the key properties of [1H-imidazol-5-yl(phenyl)methyl] formate?
[1H-imidazol-5-yl(phenyl)methyl] formate has a molecular weight of 202.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1H-imidazol-5-yl(phenyl)methyl] formate is sourced from PubChem (CID 174651841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).