2-(1,1-dimethylethyl)cyclohepta[d]imidazol-4(1H)-one

HCID 58460232
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Basic information

Standard SMILES
CC(C)(C)c1nc2c(=O)ccccc2[nH]1
InChIKey
UVHQUVCZRSEYEP-UHFFFAOYSA-N
Molecular formula
C12H14N2O
Average molar mass
202.25 g/mol

Names & identifiers

Preferred name
2-(1,1-dimethylethyl)cyclohepta[d]imidazol-4(1H)-one
IUPAC
2-tert-butyl-1H-cyclohepta[d]imidazol-4-one

Names & synonyms

SCHEMBL2508265SCHEMBL12199282UVHQUVCZRSEYEP-UHFFFAOYSA-N2-(1,1-dimethylethyl)cyclohepta[d]imidazol-4(1H)-one

Database identifiers

PubChem CID
58460232

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
45.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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