4-(phenylmethoxymethylidene)imidazole

C11H10N2O — CID 91260739

IUPAC4-(phenylmethoxymethylidene)imidazole
SMILESC1=NC=NC1=COCc1ccccc1
InChIInChI=1S/C11H10N2O/c1-2-4-10(5-3-1)7-14-8-11-6-12-9-13-11/h1-6,8-9H,7H2
InChIKeyMDURAXNFTJLQBS-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.16
Rot. Bonds3

About 4-(phenylmethoxymethylidene)imidazole

4-(phenylmethoxymethylidene)imidazole (PubChem CID 91260739) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(phenylmethoxymethylidene)imidazole.

Molecular Properties

Compound Name4-(phenylmethoxymethylidene)imidazole
PubChem CID91260739
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(phenylmethoxymethylidene)imidazole
SMILESC1=NC=NC1=COCc1ccccc1
InChIInChI=1S/C11H10N2O/c1-2-4-10(5-3-1)7-14-8-11-6-12-9-13-11/h1-6,8-9H,7H2
InChIKeyMDURAXNFTJLQBS-UHFFFAOYSA-N
XLogP2.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenoxymethylbenzene
CID 11116115
ethane;ethenoxymethylbenzene
CID 144676673
phenylmethoxyalumane
CID 153167769
2,2-difluoroethenoxymethylbenzene
CID 53483110
benzyl N-hydroxymethanimidate
CID 134694398
phenylmethoxymethylidenephosphane
CID 142882655
benzyl methanimidate
CID 10176165
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
benzyl formate;1H-pyrazole
CID 175258603
[(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene
CID 21116647
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethylidene)imidazole?
The IUPAC name of 4-(phenylmethoxymethylidene)imidazole (CID 91260739) is 4-(phenylmethoxymethylidene)imidazole.
What is the SMILES notation for 4-(phenylmethoxymethylidene)imidazole?
The canonical SMILES for 4-(phenylmethoxymethylidene)imidazole is C1=NC=NC1=COCc1ccccc1.
What is the InChIKey of 4-(phenylmethoxymethylidene)imidazole?
The InChIKey is MDURAXNFTJLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-4-10(5-3-1)7-14-8-11-6-12-9-13-11/h1-6,8-9H,7H2.
What are the key properties of 4-(phenylmethoxymethylidene)imidazole?
4-(phenylmethoxymethylidene)imidazole has a molecular weight of 186.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethylidene)imidazole is sourced from PubChem (CID 91260739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).