(4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate

C12H13N3O3 — CID 117060180

IUPAC(4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate
SMILESCC1(C)N=C(OC(=O)Nc2ccccc2)NC1=O
InChIInChI=1S/C12H13N3O3/c1-12(2)9(16)14-10(15-12)18-11(17)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyRZCACCJNOCPBER-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.50
Rot. Bonds1

About (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate

(4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate (PubChem CID 117060180) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate
PubChem CID117060180
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate
SMILESCC1(C)N=C(OC(=O)Nc2ccccc2)NC1=O
InChIInChI=1S/C12H13N3O3/c1-12(2)9(16)14-10(15-12)18-11(17)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyRZCACCJNOCPBER-UHFFFAOYSA-N
XLogP1.50
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate?
The IUPAC name of (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate (CID 117060180) is (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate.
What is the SMILES notation for (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate?
The canonical SMILES for (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate is CC1(C)N=C(OC(=O)Nc2ccccc2)NC1=O.
What is the InChIKey of (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate?
The InChIKey is RZCACCJNOCPBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-12(2)9(16)14-10(15-12)18-11(17)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate?
(4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate has a molecular weight of 247.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-5-oxo-1H-imidazol-2-yl) N-phenylcarbamate is sourced from PubChem (CID 117060180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).