(2-phenylimidazol-4-ylidene)methanone

C10H6N2O — CID 176514604

IUPAC(2-phenylimidazol-4-ylidene)methanone
SMILESO=C=C1C=NC(c2ccccc2)=N1
InChIInChI=1S/C10H6N2O/c13-7-9-6-11-10(12-9)8-4-2-1-3-5-8/h1-6H
InChIKeyQRLXGBOTWCQIBP-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.23
Rot. Bonds1

About (2-phenylimidazol-4-ylidene)methanone

(2-phenylimidazol-4-ylidene)methanone (PubChem CID 176514604) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is (2-phenylimidazol-4-ylidene)methanone.

Molecular Properties

Compound Name(2-phenylimidazol-4-ylidene)methanone
PubChem CID176514604
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name(2-phenylimidazol-4-ylidene)methanone
SMILESO=C=C1C=NC(c2ccccc2)=N1
InChIInChI=1S/C10H6N2O/c13-7-9-6-11-10(12-9)8-4-2-1-3-5-8/h1-6H
InChIKeyQRLXGBOTWCQIBP-UHFFFAOYSA-N
XLogP1.23
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phenylimidazol-4-ylidene)methanone?
The IUPAC name of (2-phenylimidazol-4-ylidene)methanone (CID 176514604) is (2-phenylimidazol-4-ylidene)methanone.
What is the SMILES notation for (2-phenylimidazol-4-ylidene)methanone?
The canonical SMILES for (2-phenylimidazol-4-ylidene)methanone is O=C=C1C=NC(c2ccccc2)=N1.
What is the InChIKey of (2-phenylimidazol-4-ylidene)methanone?
The InChIKey is QRLXGBOTWCQIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c13-7-9-6-11-10(12-9)8-4-2-1-3-5-8/h1-6H.
What are the key properties of (2-phenylimidazol-4-ylidene)methanone?
(2-phenylimidazol-4-ylidene)methanone has a molecular weight of 170.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylimidazol-4-ylidene)methanone is sourced from PubChem (CID 176514604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).